Molecule ID: mol32997
SMILES: CC1(C)C(C(=O)O)CC1C(=O)O
InChI: InChI=1S/C8H12O4/c1-8(2)4(6(9)10)3-5(8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | QSARToolbox | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 4.90 | OCHEM | -1 » -2 |
| 5.24 | QSARToolbox | -1 » -2 |