Molecule ID: mol9331
SMILES: CCC(C)C(=O)O
InChI: InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.76 | QSARToolbox | 0 » -1 |
| 4.76 | QSARToolbox | 0 » -1 |
| 4.76 | IUPAC digitized pKa | 0 » -1 |
| 4.79 | OCHEM | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.81 | QSARToolbox | 0 » -1 |
| 4.81 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |