3,4-dihydroxyhydrocinnamate

3,4-dihydroxyhydrocinnamate bmse000680 - Data

3_4_dihydroxyhydrocinnamate synonyms

3,4-Dihydroxyhydrocinnamic acid; 3,4-Dihydroxyphenylpropionic acid; 3,4-dihydroxybenzenepropanoic acid; 3,4-dihydroxyhydrocinnamic acid; 3,4-dihydroxyphenylpropionic acid; 3-(3,4-Dihydroxyphenyl)propionic acid; 3-(3,4-dihydroxyphenyl)propanoic acid; Benzenepropanoic acid, 3,4-dihydroxy-; Dihydrocaffeic acid; Hydrocaffeic acid; Hydrocinnamic acid, 3,4-dihydroxy-

Wikipedia:

Graphical representations:

3_4_dihydroxyhydrocinnamate

View large 3D structure

Molecular Formula: C9H10O4

Natural Isotopic Abundance Mass: 182.1733

Mono-Isotopic Molecular Masses:

  • C12N14: 182.0579088094
  • C13N14: 191.0881023496
  • C12N15: 182.0579088094
  • C13N15: 191.0881023496

InChI string: InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)

CAS Registry number: 1078-61-1
ChEBI: CHEBI:48400
ChemDB: 6680258
KEGG Compound ID: C10447
MDL: MFCD00002776
MMCD: cq_07112
NIST: 1802868986
NMRShiftDB: 20039648
PubChem Compound (CID): 348154
Sigma-Aldrich: 102601_ALDRICH

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)