Isoferulic Acid
Representations & DB's id
| ||
| ChEBI: | CHEBI:27794 | |
|---|---|---|
| ChEMBL: | CHEMBL233295 | |
| PubChem: | 736186 | |
| IUPAC: | (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid | |
| Standard InChI: | InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ | |
| Standard InChI Key: | QURCVMIEKCOAJU-HWKANZROSA-N | |
| SMILES: | COc1ccc(cc1O)/C=C/C(=O)O | |
Molecular propeties
| ||
| AlogP: | 1.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| 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 | |