Molecule ID: mol10445
SMILES: O=C(O)C1CC=CCC1C(=O)O
InChI: InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.95 | QSARToolbox | 0 » -1 |
| 4.17 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | OCHEM | -1 » -2 |
| 5.80 | IUPAC digitized pKa | -1 » -2 |
| 5.80 | OCHEM | -1 » -2 |
| 5.81 | QSARToolbox | -1 » -2 |