Molecule ID: mol9135
SMILES: CCC(O)C(=O)O
InChI: InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.64 | QSARToolbox | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.65 | AttenGpKa training set | 0 » -1 |
| 3.68 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | IUPAC digitized pKa | 0 » -1 |
| 3.81 | OCHEM | 0 » -1 |