Molecule ID: mol10846
SMILES: CC(=O)Oc1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | IUPAC digitized pKa | 0 » -1 |
| 4.14 | QSARToolbox | 0 » -1 |
| 4.38 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.38 | OCHEM | 0 » -1 |
| 4.38 | OCHEM | 0 » -1 |