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Phenylpropanoide und Polyketide

Phenylpropaniode sind organische Verbindungen, die durch einen aromatischen Ring und einen 3-Kohlenstoff-Propen-Schwanz charakterisiert sind. Polyketide sind Verbindungen, die dadurch charakterisiert sind, dass zwei oder mehr funktionelle Carbonylgruppen mit einem einzigen Kohlenstoffatom verbunden sind.
Phenylpropansäuren (437)
Zimtsäuren und Derivate (412)
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Cumarine und Derivate (268)
Lineare 1,3-Diarylpropanoide (106)
Depside und Depsidone (94)
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Ochratoxine und verwandte Substanzen (7)
Angucycline (2)

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1

trans-4-Hydroxyzimtsäure, 98%, Thermo Scientific Chemicals

CAS: 501-98-4 Summenformel: C9H8O3 Molekulargewicht (g/mol): 164.16 MDL-Nummer: MFCD00004399 InChI-Schlüssel: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC-Name: (E)-3-(4-Hydroxyphenyl)prop-2-ionsäure SMILES: C1=CC(=CC=C1C=CC(=O)O)O

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InChI-Schlüssel NGSWKAQJJWESNS-ZZXKWVIFSA-N
IUPAC-Name (E)-3-(4-Hydroxyphenyl)prop-2-ionsäure
PubChem CID 637542
CAS 501-98-4
ChEBI CHEBI:32374
MDL-Nummer MFCD00004399
Molekulargewicht (g/mol) 164.16
SMILES C1=CC(=CC=C1C=CC(=O)O)O
Synonym p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid
Summenformel C9H8O3
2
Sonderaktionen verfügbar

Paraffin flüssig, technisch, d = 0,88, für Ölbäder, Fisher Chemical™

CAS: 8042-47-5 Summenformel: MFCD00131611 Molekulargewicht (g/mol): 0.00 MDL-Nummer: MFCD00131611 InChI-Schlüssel: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC-Name: 2-(3,4,5-Trihydroxyphenyl)chromenylium-3,5,7-triol; Chlorid SMILES: *

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InChI-Schlüssel FFNDMZIBVDSQFI-UHFFFAOYSA-N
IUPAC-Name 2-(3,4,5-Trihydroxyphenyl)chromenylium-3,5,7-triol; Chlorid
PubChem CID 68245
CAS 8042-47-5
ChEBI CHEBI:38701
MDL-Nummer MFCD00131611
Molekulargewicht (g/mol) 0.00
SMILES *
Synonym delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
Summenformel MFCD00131611
3

4-Isobutyl-alpha-Methylphenylessigsäure, 99 %, Thermo Scientific Chemicals

CAS: 15687-27-1 Summenformel: C13H18O2 Molekulargewicht (g/mol): 206.29 MDL-Nummer: MFCD00010393 InChI-Schlüssel: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC-Name: 2-[4-(2-Methylpropyl)phenyl]propansäure SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

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InChI-Schlüssel HEFNNWSXXWATRW-UHFFFAOYNA-N
IUPAC-Name 2-[4-(2-Methylpropyl)phenyl]propansäure
PubChem CID 3672
CAS 15687-27-1
ChEBI CHEBI:5855
MDL-Nummer MFCD00010393
Molekulargewicht (g/mol) 206.29
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
Summenformel C13H18O2
4

Coniferylalkohol, 98 %, Thermo Scientific Chemicals

CAS: 458-35-5 Summenformel: Gehäuse C10H12O3 Molekulargewicht (g/mol): 180.20 MDL-Nummer: MFCD00002922 InChI-Schlüssel: JMFRWRFFLBVWSI-NSCUHMNNSA-N Synonym: coniferyl alcohol,coniferol,coniferylalcohol,4-3-hydroxyprop-1-en-1-yl-2-methoxyphenol,gamma-hydroxyisoeugenol,trans-coniferyl alcohol,e-coniferyl alcohol,4-3-hydroxy-1-propenyl-2-methoxyphenol,3-4-hydroxy-3-methoxyphenyl-2-propen-1-ol,4-1e-3-hydroxyprop-1-en-1-yl-2-methoxyphenol PubChem CID: 1549095 ChEBI: CHEBI:17745 SMILES: COC1=CC(\C=C\CO)=CC=C1O

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InChI-Schlüssel JMFRWRFFLBVWSI-NSCUHMNNSA-N
PubChem CID 1549095
CAS 458-35-5
ChEBI CHEBI:17745
MDL-Nummer MFCD00002922
Molekulargewicht (g/mol) 180.20
SMILES COC1=CC(\C=C\CO)=CC=C1O
Synonym coniferyl alcohol,coniferol,coniferylalcohol,4-3-hydroxyprop-1-en-1-yl-2-methoxyphenol,gamma-hydroxyisoeugenol,trans-coniferyl alcohol,e-coniferyl alcohol,4-3-hydroxy-1-propenyl-2-methoxyphenol,3-4-hydroxy-3-methoxyphenyl-2-propen-1-ol,4-1e-3-hydroxyprop-1-en-1-yl-2-methoxyphenol
Summenformel Gehäuse C10H12O3
5

4-Methylumbelliferon, 97 %, Thermo Scientific Chemicals

CAS: 90-33-5 Summenformel: C10H8O3 Molekulargewicht (g/mol): 176.17 MDL-Nummer: MFCD00006866 InChI-Schlüssel: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC-Name: 7-Hydroxy-4-Methylchromen-2-on SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12

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InChI-Schlüssel HSHNITRMYYLLCV-UHFFFAOYSA-N
IUPAC-Name 7-Hydroxy-4-Methylchromen-2-on
PubChem CID 5280567
CAS 90-33-5
ChEBI CHEBI:17224
MDL-Nummer MFCD00006866
Molekulargewicht (g/mol) 176.17
SMILES CC1=CC(=O)OC2=CC(O)=CC=C12
Synonym 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic
Summenformel C10H8O3
6

Trans-Cinnamaldehyd, 99 %, Thermo Scientific Chemicals

CAS: 14371-10-9 Summenformel: C9H8O Molekulargewicht (g/mol): 132.16 MDL-Nummer: MFCD00007000 InChI-Schlüssel: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1

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InChI-Schlüssel KJPRLNWUNMBNBZ-QPJJXVBHSA-N
PubChem CID 637511
CAS 14371-10-9
ChEBI CHEBI:16731
MDL-Nummer MFCD00007000
Molekulargewicht (g/mol) 132.16
SMILES O=C\C=C\C1=CC=CC=C1
Synonym cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
Summenformel C9H8O
7

Trans-Zimtaldehyd, ≥98 %, Thermo Scientific Chemicals

CAS: 14371-10-9 Summenformel: C9H8O Molekulargewicht (g/mol): 132.16 MDL-Nummer: MFCD00007000 InChI-Schlüssel: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1

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InChI-Schlüssel KJPRLNWUNMBNBZ-QPJJXVBHSA-N
PubChem CID 637511
CAS 14371-10-9
ChEBI CHEBI:16731
MDL-Nummer MFCD00007000
Molekulargewicht (g/mol) 132.16
SMILES O=C\C=C\C1=CC=CC=C1
Synonym cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
Summenformel C9H8O
8

Paraffin, flüssig, rein, Thermo Scientific Chemicals

CAS: 8012-95-1 Summenformel: MFCD00131611 Molekulargewicht (g/mol): 0.00 MDL-Nummer: MFCD00131611 InChI-Schlüssel: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC-Name: 2-(3,4,5-Trihydroxyphenyl)chromenylium-3,5,7-triol; Chlorid SMILES: *

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InChI-Schlüssel FFNDMZIBVDSQFI-UHFFFAOYSA-N
IUPAC-Name 2-(3,4,5-Trihydroxyphenyl)chromenylium-3,5,7-triol; Chlorid
PubChem CID 68245
CAS 8012-95-1
ChEBI CHEBI:38701
MDL-Nummer MFCD00131611
Molekulargewicht (g/mol) 0.00
SMILES *
Synonym delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
Summenformel MFCD00131611
9

4',5,7-Trihydroxyflavon, 97 %, Thermo Scientific Chemicals

CAS: 520-36-5 Summenformel: C15H10O5 Molekulargewicht (g/mol): 270.24 MDL-Nummer: MFCD00006831 InChI-Schlüssel: KZNIFHPLKGYRTM-UHFFFAOYSA-N Synonym: apigenin,5,7-dihydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,chamomile,spigenin,versulin,apigenol,4',5,7-trihydroxyflavone,apigenine,c.i. natural yellow 1,5,7,4'-trihydroxyflavone PubChem CID: 5280443 ChEBI: CHEBI:18388 IUPAC-Name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)chromen-4-on SMILES: OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

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InChI-Schlüssel KZNIFHPLKGYRTM-UHFFFAOYSA-N
IUPAC-Name 5,7-Dihydroxy-2-(4-hydroxyphenyl)chromen-4-on
PubChem CID 5280443
CAS 520-36-5
ChEBI CHEBI:18388
MDL-Nummer MFCD00006831
Molekulargewicht (g/mol) 270.24
SMILES OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
Synonym apigenin,5,7-dihydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,chamomile,spigenin,versulin,apigenol,4',5,7-trihydroxyflavone,apigenine,c.i. natural yellow 1,5,7,4'-trihydroxyflavone
Summenformel C15H10O5
10

Thermo Scientific Chemicals Curcumin ≥ 98 %

CAS: 458-37-7 Summenformel: C21H20O6 Molekulargewicht (g/mol): 368.39 MDL-Nummer: MFCD00008365 InChI-Schlüssel: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

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InChI-Schlüssel ZIUSSTSXXLLKKK-KOBPDPAPSA-N
PubChem CID 969516
CAS 458-37-7
ChEBI CHEBI:3962
MDL-Nummer MFCD00008365
Molekulargewicht (g/mol) 368.39
SMILES COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
Synonym curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i
Summenformel C21H20O6
11

3-(3,4-Dihydroxyphenyl)propionsäure, ≥ 98 %, Thermo Scientific Chemicals

CAS: 1078-61-1 Summenformel: C9H10O4 Molekulargewicht (g/mol): 182.175 MDL-Nummer: MFCD00002776 InChI-Schlüssel: DZAUWHJDUNRCTF-UHFFFAOYSA-N Synonym: dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid PubChem CID: 348154 ChEBI: CHEBI:48400 IUPAC-Name: 3-(3,4-Dihydroxyphenyl)propansäure SMILES: C1=CC(=C(C=C1CCC(=O)O)O)O

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InChI-Schlüssel DZAUWHJDUNRCTF-UHFFFAOYSA-N
IUPAC-Name 3-(3,4-Dihydroxyphenyl)propansäure
PubChem CID 348154
CAS 1078-61-1
ChEBI CHEBI:48400
MDL-Nummer MFCD00002776
Molekulargewicht (g/mol) 182.175
SMILES C1=CC(=C(C=C1CCC(=O)O)O)O
Synonym dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid
Summenformel C9H10O4
12

4',5,7-Trihydroxyflavanon 97 %, Thermo Scientific Chemicals

CAS: 67604-48-2 Summenformel: C15H12O5 Molekulargewicht (g/mol): 272.256 MDL-Nummer: MFCD00006844 InChI-Schlüssel: FTVWIRXFELQLPI-UHFFFAOYSA-N Synonym: naringenin,5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,naringenine,4',5,7-trihydroxyflavanone,+/--naringenin,naringetol,salipurpol,--naringenin,narigenin,salipurol PubChem CID: 932 ChEBI: CHEBI:50202 IUPAC-Name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-on SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O

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InChI-Schlüssel FTVWIRXFELQLPI-UHFFFAOYSA-N
IUPAC-Name 5,7-Dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-on
PubChem CID 932
CAS 67604-48-2
ChEBI CHEBI:50202
MDL-Nummer MFCD00006844
Molekulargewicht (g/mol) 272.256
SMILES C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
Synonym naringenin,5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,naringenine,4',5,7-trihydroxyflavanone,+/--naringenin,naringetol,salipurpol,--naringenin,narigenin,salipurol
Summenformel C15H12O5
13

Scopoletin, 95 %, Thermo Scientific Chemicals

CAS: 92-61-5 Summenformel: C10H8O4 Molekulargewicht (g/mol): 192.17 MDL-Nummer: MFCD00006872 InChI-Schlüssel: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC-Name: 7-Hydroxy-6-methoxychromen-2-on SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O

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InChI-Schlüssel RODXRVNMMDRFIK-UHFFFAOYSA-N
IUPAC-Name 7-Hydroxy-6-methoxychromen-2-on
PubChem CID 5280460
CAS 92-61-5
ChEBI CHEBI:17488
MDL-Nummer MFCD00006872
Molekulargewicht (g/mol) 192.17
SMILES COC1=C(C=C2C(=C1)C=CC(=O)O2)O
Synonym scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin
Summenformel C10H8O4
14

3-(3-Hydroxyphenyl)propionsäure, ≥ 98 %, Thermo Scientific Chemicals

CAS: 621-54-5 Summenformel: C9H10O3 Molekulargewicht (g/mol): 166.176 MDL-Nummer: MFCD00016554 InChI-Schlüssel: QVWAEZJXDYOKEH-UHFFFAOYSA-N Synonym: 3-3-hydroxyphenyl propanoic acid,3-3-hydroxyphenyl propionic acid,dihydro-3-coumaric acid,benzenepropanoic acid, 3-hydroxy,3-m-hydroxyphenyl propionic acid,3-hydroxybenzenepropanoic acid,3-hydroxyphenylpropionic acid,m-hydroxyphenylpropionic acid,beta-m-hydroxyphenyl propionic acid,hydrocinnamic acid, m-hydroxy PubChem CID: 91 ChEBI: CHEBI:1427 IUPAC-Name: 3-(3-Hydroxyphenyl)propansäure SMILES: C1=CC(=CC(=C1)O)CCC(=O)O

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InChI-Schlüssel QVWAEZJXDYOKEH-UHFFFAOYSA-N
IUPAC-Name 3-(3-Hydroxyphenyl)propansäure
PubChem CID 91
CAS 621-54-5
ChEBI CHEBI:1427
MDL-Nummer MFCD00016554
Molekulargewicht (g/mol) 166.176
SMILES C1=CC(=CC(=C1)O)CCC(=O)O
Synonym 3-3-hydroxyphenyl propanoic acid,3-3-hydroxyphenyl propionic acid,dihydro-3-coumaric acid,benzenepropanoic acid, 3-hydroxy,3-m-hydroxyphenyl propionic acid,3-hydroxybenzenepropanoic acid,3-hydroxyphenylpropionic acid,m-hydroxyphenylpropionic acid,beta-m-hydroxyphenyl propionic acid,hydrocinnamic acid, m-hydroxy
Summenformel C9H10O3
15

Thermo Scientific Chemicals 4-Dimethylaminocinnamaldehyd, 98 %

CAS: 6203-18-5 Summenformel: C11H13NO Molekulargewicht (g/mol): 175.23 MDL-Nummer: MFCD00007002 InChI-Schlüssel: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent PubChem CID: 5284506 IUPAC-Name: (E)-3-[4-(Dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O

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InChI-Schlüssel RUKJCCIJLIMGEP-ONEGZZNKSA-N
IUPAC-Name (E)-3-[4-(Dimethylamino)phenyl]prop-2-enal
PubChem CID 5284506
CAS 6203-18-5
MDL-Nummer MFCD00007002
Molekulargewicht (g/mol) 175.23
SMILES CN(C)C1=CC=C(C=C1)C=CC=O
Synonym 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent
Summenformel C11H13NO