Molecule ID: mol32998
SMILES: CC1(C)C(C(=O)O)C1C(=O)O
InChI: InChI=1S/C7H10O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.34 | QSARToolbox | 0 » -1 |
| 3.82 | QSARToolbox | -1 » -2 |
| 3.82 | QSARToolbox | -1 » -2 |
| 3.82 | QSARToolbox | -1 » -2 |
| 4.12 | OCHEM | -1 » -2 |
| 5.32 | QSARToolbox | -1 » -2 |