Showing Metabocard for 3,4-dihydroxybenzaldehyde (BASm0002354)
| Common Name | 3,4-dihydroxybenzaldehyde |
|---|---|
| Description | true |
| Structure | |
| Molecular Formula | C7H6O3 |
| Average Mass | 138.12070 |
| Monoisotopic Mass | 138.03169 |
| IUPAC Name | 3,4-dihydroxybenzaldehyde |
| Traditional Name | 3,4-dihydroxybenzaldehyde |
| CAS Registry Number | 139-85-5 |
| SMILES | O=Cc1ccc(O)c(O)c1 |
| InChI Identifier | InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H |
| InChI Key | IBGBGRVKPALMCQ-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:50205 |
| HMDB ID | HMDB0059965 |
| State | Not Available |
| Water Solubility | 1.43e+01 g/l |
| logP | 0.89 |
| logS | -0.99 |
| pKa (Strongest Acidic) | 7.46 |
| pKa (Strongest Basic) | -6.33 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 57.53 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 36.60 m³·mol⁻¹ |
| Polarizability | 12.87 |