Sinapic Acid Methyl Ether
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL501235 | |
| PubChem: | 735755 | |
| IUPAC: | (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid | |
| Standard InChI: | InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+ | |
| Standard InChI Key: | YTFVRYKNXDADBI-SNAWJCMRSA-N | |
| SMILES: | COc1cc(/C=C/C(=O)O)cc(c1OC)OC | |
Molecular propeties
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| AlogP: | 1.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 1 | |
| Molecular Weight: | 238.08 | |
| Topological polar surface area: | 65 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 12 | |