Molecule ID: mol9578
SMILES: CCOC(=O)CC(C)=O
InChI: InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.49 | IUPAC digitized pKa | 0 » -1 |
| 10.64 | IUPAC digitized pKa | 0 » -1 |
| 10.66 | Datawarrior | 0 » -1 |
| 10.66 | OCHEM | 0 » -1 |
| 10.68 | IUPAC digitized pKa | 0 » -1 |
| 10.68 | OCHEM | 0 » -1 |
| 10.68 | OCHEM | 0 » -1 |
| 10.68 | QSARToolbox | 0 » -1 |
| 10.70 | IUPAC digitized pKa | 0 » -1 |
| 11.41 | AttenGpKa training set | 0 » -1 |