Molecule ID: mol13098
SMILES: CC=C=CC(C)(C)C(=O)O
InChI: InChI=1S/C8H12O2/c1-4-5-6-8(2,3)7(9)10/h4,6H,1-3H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.58 | OCHEM | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | Datawarrior | 0 » -1 |