Molecule ID: mol13862
SMILES: CC1=C(C)C(=C(C)C(=O)O)CC1=O
InChI: InChI=1S/C10H12O3/c1-5-6(2)9(11)4-8(5)7(3)10(12)13/h4H2,1-3H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | OCHEM | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | Datawarrior | 0 » -1 |