Structure via PubChem · Public domain (PubChem)
ethyl trans-caffeate
Sign in to saveAlso known as Ethyl caffeate, 3,4-Dihydroxycinnamic acid ethyl ester, ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
chemical compound
Chemical data
- Formula
- C11H12O4
- Molecular weight
- 208.21 g/mol
- IUPAC name
- ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- SMILES
- CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O
- InChIKey
- WDKYDMULARNCIS-GQCTYLIASA-N
- XLogP
- 2.6
- 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
- 208.074
Show 5 more facts
- found in taxon
- Bidens pilosa
- chemical formula
- C₁₁H₁₂O₄
- canonical SMILES
- CCOC(=O)C=CC1=CC(=C(C=C1)O)O
- isomeric SMILES
- CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O
- has characteristic
- bitterness
Sources (2)
via Wikidata · CC0