Trans-3-Hydroxycinnamic Acid

Trans-3-Hydroxycinnamic Acid bmse000093 - Data

Trans_3_hydroxycinnamic_acid synonyms

trans-3-Hydroxycinnamate; 3-Coumaric acid

Wikipedia:

Graphical representations:

trans_3_hydroxycinnamic_acid

View large 3D structure

Molecular Formula: C9H8O3

Natural Isotopic Abundance Mass: 164.1580200000

Mono-Isotopic Molecular Masses:

  • C12N14: 164.047344123
  • C13N14: 173.077537663
  • C12N15: 164.047344123
  • C13N15: 173.077537663

InChI string: InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+

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

PubChem Compound (CID): 637541
KEGG Compound ID: C12621
CAS Registry number: 588-30-7

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)