Sinapinate
Representations & DB's id
| ||
| ChEBI: | CHEBI:15714 | |
|---|---|---|
| ChEMBL: | CHEMBL109341 | |
| PubChem: | 637775 | |
| IUPAC: | (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid | |
| Standard InChI: | InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ | |
| Standard InChI Key: | PCMORTLOPMLEFB-ONEGZZNKSA-N | |
| SMILES: | COc1cc(/C=C/C(=O)O)cc(c1O)OC | |
Molecular propeties
| ||
| AlogP: | 1.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 224.07 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.182 | |
| Number of carbons: | 11 | |