Molecule ID: mol10980
SMILES: CC(=NO)C(=O)c1ccccc1
InChI: InChI=1S/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | IUPAC digitized pKa | 0 » -1 |
| 9.25 | Datawarrior | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.31 | IUPAC digitized pKa | 0 » -1 |