Molecule ID: mol10923
SMILES: CC(C)C(=O)CC(=O)C(C)C
InChI: InChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h6-7H,5H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.82 | IUPAC digitized pKa | 0 » -1 |
| 9.82 | AttenGpKa training set | 0 » -1 |
| 9.86 | OCHEM | 0 » -1 |
| 9.86 | IUPAC digitized pKa | 0 » -1 |
| 9.86 | Datawarrior | 0 » -1 |