Molecule ID: mol22412
SMILES: O=C(O)C[C@H]1CC[C@H]2OC(=O)C[C@@H]12
InChI: InChI=1S/C9H12O4/c10-8(11)3-5-1-2-7-6(5)4-9(12)13-7/h5-7H,1-4H2,(H,10,11)/t5-,6+,7-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | AttenGpKa training set | 0 » -1 |