Methyl 4-coumarate

Methyl 4-coumarate bmse000605 - Data

Methyl_4_coumarate synonyms

Methyl 4-hydroxycinnamate; p-Hydroxycinnamic acid methyl ester; 4-Coumaric acid methyl ester; Methyl p-hydroxycinnamate; Methyl p-coumarate; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester (9CI); Cinnamic acid, p-hydroxy-, methyl ester (8CI); 4-Hydroxycinnamic acid methyl ester

Wikipedia:

Graphical representations:

methyl_4_coumarate

View large 3D structure

Molecular Formula: C10H10O3

Natural Isotopic Abundance Mass: 178.1846

Mono-Isotopic Molecular Masses:

  • C12N14: 178.0629941873
  • C13N14: 188.0965425653
  • C12N15: 178.0629941873
  • C13N15: 188.0965425653

InChI string: InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+

PubChem Compound (CID): 92203
CAS Registry number: 3943-97-3
ChemIDplus: 003943973
EINECS: 223-531-1
ZINC: ZINC00153731
ChemDB: 5758474

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)