Molecule ID: mol21784
SMILES: CC=C(C)C(=O)O
InChI: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | QSARToolbox | 0 » -1 |
| 4.29 | OCHEM | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |
| 4.96 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.96 | OCHEM | 0 » -1 |
| 4.96 | QSARToolbox | 0 » -1 |