Molecule ID: mol13504
SMILES: CC(C)(C#N)CC(=O)O
InChI: InChI=1S/C6H9NO2/c1-6(2,4-7)3-5(8)9/h3H2,1-2H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.04 | QSARToolbox | 0 » -1 |
| 4.04 | QSARToolbox | 0 » -1 |
| 4.04 | Datawarrior | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |