Molecule ID: mol9333
SMILES: CCCC(O)C(=O)O
InChI: InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | QSARToolbox | 0 » -1 |
| 3.59 | QSARToolbox | 0 » -1 |
| 3.59 | IUPAC digitized pKa | 0 » -1 |
| 3.59 | OCHEM | 0 » -1 |
| 3.89 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |