Molecule ID: mol9358
SMILES: O=C(O)c1cc[nH]c1
InChI: InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.98 | Datawarrior | 0 » -1 |
| 4.98 | OCHEM | 0 » -1 |
| 5.00 | IUPAC digitized pKa | 0 » -1 |
| 5.00 | QSARToolbox | 0 » -1 |
| 5.01 | QSARToolbox | 0 » -1 |