Vanillic Acid
Representations & DB's id
| ||
| ChEBI: | CHEBI:30816 | |
|---|---|---|
| ChEMBL: | CHEMBL120568 | |
| PubChem: | 8468 | |
| IUPAC: | 4-hydroxy-3-methoxybenzoic acid | |
| Standard InChI: | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) | |
| Standard InChI Key: | WKOLLVMJNQIZCI-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1O)C(=O)O | |
Molecular propeties
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| 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 | |