Molecule ID: mol9572
SMILES: CCC(=O)CC(C)=O
InChI: InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.36 | QSARToolbox | 0 » -1 |
| 9.36 | OCHEM | 0 » -1 |
| 9.36 | IUPAC digitized pKa | 0 » -1 |
| 9.36 | Datawarrior | 0 » -1 |