Molecule ID: mol12903
SMILES: CC1(C)OC(=O)CC(=O)O1
InChI: InChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | AttenGpKa training set | 0 » -1 |
| 5.10 | OCHEM | 0 » -1 |
| 5.10 | OCHEM | 0 » -1 |
| 5.15 | Datawarrior | 0 » -1 |
| 5.15 | OCHEM | 0 » -1 |