3-hydroxy-4-methoxycinnamic Acid

3-hydroxy-4-methoxycinnamic Acid bmse000618 - Data

3_hydroxy_4_methoxycinnamic_acid synonyms

Isoferulic acid; 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-; 3-Hydroxy-4-methoxycinnamic acid, predominantly trans; 3-Hydroxy-4-methoxycinnamic acid

Wikipedia:

Graphical representations:

3_hydroxy_4_methoxycinnamic_acid

View large 3D structure

Molecular Formula: C10H10O4

Natural Isotopic Abundance Mass: 194.184

Mono-Isotopic Molecular Masses:

  • C12N14: 194.0579088094
  • C13N14: 204.0914571874
  • C12N15: 194.0579088094
  • C13N15: 204.0914571874

InChI string: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

PubChem Compound (CID): 736186
CAS Registry number: 537-73-5
Sigma-Aldrich: 103012_ALDRICH
KEGG Compound ID: C10470
NIST: 4188758742
MMCD: cq_07135
MDL: MFCD00004391
PDB Compound ID: 4FE

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)