Isovanillic Acid
Representations & DB's id
| ||
| ChEBI: | CHEBI:63798 | |
|---|---|---|
| ChEMBL: | CHEMBL88700 | |
| PubChem: | 12575 | |
| IUPAC: | 3-hydroxy-4-methoxybenzoic acid | |
| Standard InChI: | InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11) | |
| Standard InChI Key: | LBKFGYZQBSGRHY-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1O)C(=O)O | |
Molecular propeties
| ||
| AlogP: | 1.1 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 168.04 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 8 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|