Molecule ID: mol10907
SMILES: O=C(O)C1C2CCC(C2)C1C(=O)O
InChI: InChI=1S/C9H12O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h4-7H,1-3H2,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.02 | IUPAC digitized pKa | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.70 | QSARToolbox | -1 » -2 |
| 5.36 | OCHEM | -1 » -2 |
| 5.66 | QSARToolbox | -1 » -2 |
| 5.75 | IUPAC digitized pKa | -1 » -2 |