Molecule ID: mol13138
SMILES: CC(C)=C(C(N)=O)C(=O)O
InChI: InChI=1S/C6H9NO3/c1-3(2)4(5(7)8)6(9)10/h1-2H3,(H2,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.95 | Datawarrior | 0 » -1 |
| 3.95 | OCHEM | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |