Molecule ID: mol10011
SMILES: CCOC(=O)C(CC)C(=O)O
InChI: InChI=1S/C7H12O4/c1-3-5(6(8)9)7(10)11-4-2/h5H,3-4H2,1-2H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.43 | IUPAC digitized pKa | 0 » -1 |
| 3.43 | OCHEM | 0 » -1 |
| 3.43 | AttenGpKa training set | 0 » -1 |
| 3.43 | QSARToolbox | 0 » -1 |
| 3.43 | QSARToolbox | 0 » -1 |
| 3.90 | IUPAC digitized pKa | 0 » -1 |