Ethyl Caffeate
Representations & DB's id
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| ChEBI: | CHEBI:69656 | |
|---|---|---|
| ChEMBL: | CHEMBL17347 | |
| PubChem: | 5317238 | |
| IUPAC: | ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | |
| Standard InChI: | InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+ | |
| Standard InChI Key: | WDKYDMULARNCIS-GQCTYLIASA-N | |
| SMILES: | CCOC(=O)/C=C/c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 208.07 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.182 | |
| Number of carbons: | 11 | |