bmse000150 4-Hydroxycinnamic acid at BMRB

4-Hydroxycinnamic acid

Hydroxycinnamic acid; 4-Hydroxycinnamate; 4-Coumarate; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; P-COUMARIC ACID; beta-(4-Hydroxyphenyl)acrylic acid; 4-Coumaric acid; p-Hydroxycinnamic acid; p-Coumaric acid; 2-Propenoic acid, 3-(4-hydroxyphenyl)-

Molecular Formula: C9 H8 O3
Natural Isotopic Abundance Mass: 164.1580200000
Mono-Isotopic Molecular Masses: C12N14: 164.047344123; C13N14: 173.077537663; C12N15: 164.047344123; C13N15: 173.077537663

4-Hydroxycinnamic acid

InCHi String:
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+

isomeric and canonical SMILES:
C1=CC(=CC=C1C=CC(=O)O)O

IUPAC: IUPAC cas: IUPAC openeye: IUPAC systematic
3-(4-hydroxyphenyl)prop-2-enoic acid

IUPAC traditional
3-(4-hydroxyphenyl)acrylic acid

PubChem Substance (SID):   111677728   166410   4069
PubChem Compound (CID):   322
KEGG: Compound ID   C00811
CAS Registry IDs:   7400-08-0
PDB Chemical Component   HC4
Miscellaneous Databases and IDs:   CHEBI 32374   EINECS 231-000-0   Beilstein Handbook Reference 4-10-00-01005   NSC 59260

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.