Molecule ID: mol11935
SMILES: CC1=C(c2c(C)cc(O)cc2O)C(=O)C=C(O)C1=O
InChI: InChI=1S/C14H12O5/c1-6-3-8(15)4-9(16)12(6)13-7(2)14(19)11(18)5-10(13)17/h3-5,15-16,18H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | IUPAC digitized pKa | 0 » -1 |
| 9.49 | IUPAC digitized pKa | -1 » -2 |