Molecule ID: mol9566
SMILES: CC(=O)C(CC(=O)O)C(=O)O
InChI: InChI=1S/C6H8O5/c1-3(7)4(6(10)11)2-5(8)9/h4H,2H2,1H3,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.86 | IUPAC digitized pKa | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 4.57 | IUPAC digitized pKa | -1 » -2 |