Molecule ID: mol10002
SMILES: CC(=O)CC(=O)C(C)C
InChI: InChI=1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h5H,4H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.26 | QSARToolbox | 0 » -1 |
| 9.33 | IUPAC digitized pKa | 0 » -1 |
| 9.40 | IUPAC digitized pKa | 0 » -1 |
| 9.42 | IUPAC digitized pKa | 0 » -1 |
| 9.43 | IUPAC digitized pKa | 0 » -1 |
| 9.46 | IUPAC digitized pKa | 0 » -1 |
| 9.46 | Datawarrior | 0 » -1 |
| 9.46 | OCHEM | 0 » -1 |