Molecule ID: mol21782
SMILES: O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1
InChI: InChI=1S/C11H12O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h5-6,14H,1-4H2,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.32 | Organic Oxygen Acids and Nitrogen Bases | -1 » -2 |
| 5.32 | OCHEM | -1 » -2 |
| 5.32 | OCHEM | -1 » -2 |
| 5.32 | OCHEM | -1 » -2 |
| 5.32 | OCHEM | -1 » -2 |