Molecule ID: mol10017
SMILES: CCOC(=O)C(C)(C)C(=O)O
InChI: InChI=1S/C7H12O4/c1-4-11-6(10)7(2,3)5(8)9/h4H2,1-3H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | IUPAC digitized pKa | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.55 | IUPAC digitized pKa | 0 » -1 |