Molecule ID: mol12937
SMILES: COCC1=C(C(=O)O)CC1
InChI: InChI=1S/C7H10O3/c1-10-4-5-2-3-6(5)7(8)9/h2-4H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | Datawarrior | 0 » -1 |