Molecule ID: mol12440
SMILES: CC(C)/C=C/C(=O)O
InChI: InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | Datawarrior | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | AttenGpKa training set | 0 » -1 |