Molecule ID: mol11718
SMILES: O=C(O)CN(CC(=O)O)C(C(=O)O)c1ccccc1
InChI: InChI=1S/C12H13NO6/c14-9(15)6-13(7-10(16)17)11(12(18)19)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,14,15)(H,16,17)(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.45 | IUPAC digitized pKa | 1 » 0 |
| 2.39 | IUPAC digitized pKa | 0 » -1 |
| 9.26 | IUPAC digitized pKa | -2 » -3 |