Molecule ID: mol36186
SMILES: O=C(O)COCC(COCC(=O)O)(COCC(=O)O)c1ccccc1
InChI: InChI=1S/C16H20O9/c17-13(18)6-23-9-16(10-24-7-14(19)20,11-25-8-15(21)22)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)(H,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | QSARToolbox | 0 » -1 |