Molecule ID: mol10463
SMILES: CC(=O)CC(=O)C(C)(C)C
InChI: InChI=1S/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.89 | IUPAC digitized pKa | 0 » -1 |
| 9.94 | QSARToolbox | 0 » -1 |
| 9.94 | OCHEM | 0 » -1 |
| 9.94 | IUPAC digitized pKa | 0 » -1 |
| 9.94 | Datawarrior | 0 » -1 |
| 10.00 | IUPAC digitized pKa | 0 » -1 |
| 10.01 | IUPAC digitized pKa | 0 » -1 |
| 10.01 | OCHEM | 0 » -1 |
| 10.01 | OCHEM | 0 » -1 |
| 10.11 | IUPAC digitized pKa | 0 » -1 |