Molecule ID: mol36331
SMILES: O=C(O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2
InChI: InChI=1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)/t4-,5+,6-,7-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.06 | QSARToolbox | 0 » -1 |
| 5.74 | QSARToolbox | -1 » -2 |