Molecule ID: mol9562
SMILES: O=C(O)[C@H]1C[C@@H](C(=O)O)C1
InChI: InChI=1S/C6H8O4/c7-5(8)3-1-4(2-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.03 | AttenGpKa training set | 0 » -1 |
| 4.08 | IUPAC digitized pKa | 0 » -1 |
| 5.12 | IUPAC digitized pKa | -1 » -2 |
| 5.31 | AttenGpKa training set | -1 » -2 |