Molecule ID: mol9553
SMILES: C[C@@]1(C(=O)O)C[C@H]1C(=O)O
InChI: InChI=1S/C6H8O4/c1-6(5(9)10)2-3(6)4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)/t3-,6+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.81 | QSARToolbox | 0 » -1 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 5.30 | IUPAC digitized pKa | -1 » -2 |