Molecule record

(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

C9H8O4

180.16 g/mol

Loading structure

Molecular properties

Formula
C9H8O4
Molar mass
180.16 g·mol−1
Exact mass
180.0422 Da
6
PubChem CID
689043

Functional groups

Alkene
Aromatic ring
Carboxylic acid
Phenol

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (2E)-
  • 3,4-Dihydroxybenzeneacrylic acid
  • 3,4-Dihydroxycinnamic acid
  • 3-(3,4-Dihydroxyphenyl)-2-propenoic acid
  • 3-(3,4-Dihydroxyphenyl)propenoic acid
  • 331-39-5
  • 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene
Show all 24 synonyms
  • 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
  • CHEBI:16433
  • CHEBI:17395
  • CHEBI:36281
  • Caffeic Acid 1507
  • Cinnamic acid, 3,4-dihydroxy-
  • DTXCID10231
  • DTXSID5020231
  • NSC 57197
  • NSC-623438
  • NSC57197
  • NSC623438
  • U2S3A33KVM
  • caffeic acid
  • caffeic acid, (E)-
  • trans-3,4-Dihydroxycinnamic Acid

Structure identifiers

Canonical SMILES
O=C(O)/C=C/c1ccc(O)c(O)c1
Isomeric SMILES
C1=CC(=C(C=C1/C=C/C(=O)O)O)O
InChI
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey
QAIPRVGONGVQAS-DUXPYHPUSA-N
PubChem CID
689043

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record