Molecule ID: mol13863
SMILES: CC1=C(C)C(C(C)C(=O)O)CC1=O
InChI: InChI=1S/C10H14O3/c1-5-6(2)9(11)4-8(5)7(3)10(12)13/h7-8H,4H2,1-3H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | Datawarrior | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |