U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O3
Molecular Weight 164.158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CAFFEIC ALDEHYDE

SMILES

OC1=C(O)C=C(\C=C\C=O)C=C1

InChI

InChIKey=AXMVYSVVTMKQSL-OWOJBTEDSA-N
InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+

HIDE SMILES / InChI

Molecular Formula C9H8O3
Molecular Weight 164.158
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:59:13 GMT 2023
Edited
by admin
on Sat Dec 16 17:59:13 GMT 2023
Record UNII
2A5UNB3LNK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAFFEIC ALDEHYDE
Common Name English
(2E)-3-(3,4-Dihydroxyphenyl)-2-propenal
Systematic Name English
2-PROPENAL, 3-(3,4-DIHYDROXYPHENYL)-, (E)-
Systematic Name English
2-Propenal, 3-(3,4-dihydroxyphenyl)-
Systematic Name English
2-PROPENAL, 3-(3,4-DIHYDROXYPHENYL)-, (2E)-
Systematic Name English
3,4-Dihydroxycinnamaldehyde
Systematic Name English
trans-Caffeic aldehyde
Common Name English
Code System Code Type Description
CHEBI
28323
Created by admin on Sat Dec 16 17:59:13 GMT 2023 , Edited by admin on Sat Dec 16 17:59:13 GMT 2023
PRIMARY
PUBCHEM
443034
Created by admin on Sat Dec 16 17:59:13 GMT 2023 , Edited by admin on Sat Dec 16 17:59:13 GMT 2023
PRIMARY
CAS
68149-78-0
Created by admin on Sat Dec 16 17:59:13 GMT 2023 , Edited by admin on Sat Dec 16 17:59:13 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
WIKIPEDIA
Caffeic aldehyde
Created by admin on Sat Dec 16 17:59:13 GMT 2023 , Edited by admin on Sat Dec 16 17:59:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID401032315
Created by admin on Sat Dec 16 17:59:13 GMT 2023 , Edited by admin on Sat Dec 16 17:59:13 GMT 2023
PRIMARY
FDA UNII
2A5UNB3LNK
Created by admin on Sat Dec 16 17:59:13 GMT 2023 , Edited by admin on Sat Dec 16 17:59:13 GMT 2023
PRIMARY
CAS
141632-15-7
Created by admin on Sat Dec 16 17:59:13 GMT 2023 , Edited by admin on Sat Dec 16 17:59:13 GMT 2023
PRIMARY