Molecule ID: mol33813
SMILES: CC(C)(CC(=O)O)C(=O)O
InChI: InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.93 | QSARToolbox | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 6.40 | QSARToolbox | -1 » -2 |