Molecule ID: mol32972
SMILES: CCC(CC(=O)O)C(=O)O
InChI: InChI=1S/C6H10O4/c1-2-4(6(9)10)3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.38 | OCHEM | -1 » -2 |
| 4.38 | OCHEM | -1 » -2 |
| 4.80 | QSARToolbox | -1 » -2 |
| 4.80 | QSARToolbox | -1 » -2 |