Molecule ID: mol9567
SMILES: CC(C)(C(=O)O)C(=O)C(=O)O
InChI: InChI=1S/C6H8O5/c1-6(2,5(10)11)3(7)4(8)9/h1-2H3,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.77 | QSARToolbox | 0 » -1 |
| 1.77 | QSARToolbox | 0 » -1 |
| 1.77 | IUPAC digitized pKa | 0 » -1 |
| 4.62 | QSARToolbox | -1 » -2 |
| 4.62 | IUPAC digitized pKa | -1 » -2 |