Molecule ID: mol9589
SMILES: O=C(O)COCCOCC(=O)O
InChI: InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | QSARToolbox | 0 » -1 |
| 3.15 | IUPAC digitized pKa | -1 » -2 |
| 3.97 | IUPAC digitized pKa | 0 » -1 |