Structure via PubChem · Public domain (PubChem)
caffeic acid methyl ester
Sign in to saveAlso known as Caffeic acid, methyl ester, methyl caffeate, trans-caffeic acid methyl ester, (E)-caffeic acid methyl ester, methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
chemical compound
Chemical data
- Formula
- C10H10O4
- Molecular weight
- 194.18 g/mol
- IUPAC name
- methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- SMILES
- COC(=O)/C=C/C1=CC(=C(C=C1)O)O
- InChIKey
- OCNYGKNIVPVPPX-HWKANZROSA-N
- XLogP
- 1.5
- Polar surface area
- 66.8 Ų
- H-bond donors
- 2
- H-bond acceptors
- 4
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 194.057909
Show 3 more facts
- chemical formula
- C₁₀H₁₀O₄
- isomeric SMILES
- COC(=O)/C=C/C1=CC(=C(C=C1)O)O
- canonical SMILES
- COC(=O)C=CC1=CC(=C(C=C1)O)O
Sources (2)
via Wikidata · CC0