Showing Metabocard for 3,4-dihydroxybenzoate (BASm0001977)
| Common Name | 3,4-dihydroxybenzoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C7H5O4 |
| Average Mass | 153.11400 |
| Monoisotopic Mass | 153.01933 |
| IUPAC Name | 3,4-dihydroxybenzoic acid |
| Traditional Name | 3,4-dihydroxybenzoic acid |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])c1ccc(O)c(O)c1 |
| InChI Identifier | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1 |
| InChI Key | YQUVCSBJEUQKSH-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:36241 |
| MiMeDB ID | MMDBc0054247 |
| State | Expected Solid |
| Water Solubility | 1.24e+01 g/l |
| logP | 1.32 |
| logS | -1.10 |
| pKa (Strongest Acidic) | 4.16 |
| pKa (Strongest Basic) | -6.34 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 77.76 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 37.28 m³·mol⁻¹ |
| Polarizability | 13.84 |