Molecule ID: mol10417
SMILES: O=C(O)C1=C(C(=O)O)CC=CC1
InChI: InChI=1S/C8H8O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2H,3-4H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.64 | IUPAC digitized pKa | 0 » -1 |
| 4.90 | IUPAC digitized pKa | -1 » -2 |