Molecule ID: mol32980
SMILES: O=C(O)C1CC(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)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 4.03 | QSARToolbox | 0 » -1 |
| 4.40 | OCHEM | -1 » -2 |
| 4.80 | OCHEM | -1 » -2 |
| 5.28 | QSARToolbox | -1 » -2 |