Methyl Protocatechuate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL486027 | |
| PubChem: | 287064 | |
| IUPAC: | methyl 3,4-dihydroxybenzoate | |
| Standard InChI: | InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3 | |
| Standard InChI Key: | CUFLZUDASVUNOE-UHFFFAOYSA-N | |
| SMILES: | COC(=O)c1ccc(c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 0.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| 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 | |