Molecule ID: mol10926
SMILES: COC(=O)C(C)(C)C(C)(C)C(=O)O
InChI: InChI=1S/C9H16O4/c1-8(2,6(10)11)9(3,4)7(12)13-5/h1-5H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.98 | IUPAC digitized pKa | 0 » -1 |
| 4.98 | OCHEM | 0 » -1 |
| 4.98 | QSARToolbox | 0 » -1 |
| 4.98 | QSARToolbox | 0 » -1 |
| 5.48 | IUPAC digitized pKa | 0 » -1 |