Molecule ID: mol9325
SMILES: COC(=O)CC(C)=O
InChI: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.60 | Datawarrior | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |
| 10.72 | IUPAC digitized pKa | 0 » -1 |