Molecule ID: mol10438
SMILES: CC1(C)C(=O)CC(=O)CC1=O
InChI: InChI=1S/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | Datawarrior | 0 » -1 |
| 9.73 | OCHEM | -1 » -2 |
| 9.73 | IUPAC digitized pKa | -1 » -2 |
| 9.73 | Datawarrior | -1 » -2 |