Methylcaffeate
Representations & DB's id
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| ChEBI: | CHEBI:6856 | |
|---|---|---|
| ChEMBL: | CHEMBL17001 | |
| PubChem: | 689075 | |
| IUPAC: | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | |
| Standard InChI: | InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+ | |
| Standard InChI Key: | OCNYGKNIVPVPPX-HWKANZROSA-N | |
| SMILES: | COC(=O)/C=C/c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.28 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 194.06 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.1 | |
| Number of carbons: | 10 | |