Molecule ID: mol9327
SMILES: CC(CC(=O)O)C(=O)O
InChI: InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.88 | IUPAC digitized pKa | 0 » -1 |
| 3.91 | QSARToolbox | 0 » -1 |
| 3.91 | QSARToolbox | 0 » -1 |
| 4.00 | IUPAC digitized pKa | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 5.35 | IUPAC digitized pKa | -1 » -2 |
| 5.64 | QSARToolbox | -1 » -2 |
| 5.79 | IUPAC digitized pKa | -1 » -2 |