Molecule ID: mol10702
SMILES: CC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C8H13NO6/c1-8(9(14)15,4-2-6(10)11)5-3-7(12)13/h2-5H2,1H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | IUPAC digitized pKa | -1 » -2 |
| 5.46 | IUPAC digitized pKa | 0 » -1 |