Molecule ID: mol13568
SMILES: O=C(O)C1=C(CO)CC1
InChI: InChI=1S/C6H8O3/c7-3-4-1-2-5(4)6(8)9/h7H,1-3H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | Datawarrior | 0 » -1 |