Molecule ID: mol8992
SMILES: CC(C)OO
InChI: InChI=1S/C3H8O2/c1-3(2)5-4/h3-4H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.91 | AttenGpKa training set | 0 » -1 |
| 12.10 | IUPAC digitized pKa | 0 » -1 |
| 12.10 | Datawarrior | 0 » -1 |
| 12.10 | OCHEM | 0 » -1 |
| 12.10 | OCHEM | 0 » -1 |
| 12.10 | QSARToolbox | 0 » -1 |
| 12.10 | QSARToolbox | 0 » -1 |