Molecule ID: mol9136
SMILES: CC(O)CC(=O)O
InChI: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.34 | QSARToolbox | 0 » -1 |
| 4.39 | AttenGpKa training set | 0 » -1 |
| 4.40 | IUPAC digitized pKa | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.41 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.50 | Datawarrior | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |