Molecule ID: mol10447
SMILES: O=C(O)C1C2CCC(O2)C1C(=O)O
InChI: InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.46 | IUPAC digitized pKa | 0 » -1 |
| 5.13 | IUPAC digitized pKa | -1 » -2 |