Protocatechualdehyde
Representations & DB's id
| ||
| ChEBI: | CHEBI:50205 | |
|---|---|---|
| ChEMBL: | CHEMBL222021 | |
| PubChem: | 8768 | |
| IUPAC: | 3,4-dihydroxybenzaldehyde | |
| Standard InChI: | InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H | |
| Standard InChI Key: | IBGBGRVKPALMCQ-UHFFFAOYSA-N | |
| SMILES: | O=Cc1ccc(c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 0.91 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 138.03 | |
| Topological polar surface area: | 57.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0 | |
| Number of carbons: | 7 | |