Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Trans-3-Hydroxycinnamic Acid

Trans-3-Hydroxycinnamic Acid synonyms

trans-3-Hydroxycinnamate; 3-Coumaric acid


Graphical representations:

trans-3-Hydroxycinnamic acid image

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

InCHi String:

isomeric SMILES: C1=CC(=CC(=C1)O)\C=C\C(=O)O

canonical SMILES: C1=CC(=CC(=C1)O)C=CC(=O)O

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

IUPAC traditional
(E)-3-(3-hydroxyphenyl)acrylic acid

PubChem Substance (SID):   85164933   583011
PubChem Compound (CID):   637541
KEGG: Compound ID   C12621
CAS Registry IDs:   588-30-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.