Molecule ID: mol13095
SMILES: CC(C)(C)OOCC(=O)O
InChI: InChI=1S/C6H12O4/c1-6(2,3)10-9-4-5(7)8/h4H2,1-3H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | Datawarrior | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |