Molecule ID: mol11719
SMILES: CCC(CC(=O)O)(C(=O)O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C12H13NO6/c1-2-12(11(16)17,7-10(14)15)8-3-5-9(6-4-8)13(18)19/h3-6H,2,7H2,1H3,(H,14,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | IUPAC digitized pKa | 0 » -1 |
| 5.92 | IUPAC digitized pKa | -1 » -2 |