Molecule ID: mol12326
SMILES: CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)cc(C(=O)O)c2O)C=C(C(=O)O)C1=O
InChI: InChI=1S/C25H20O9/c1-10-4-15(22(28)16(5-10)23(29)30)19(13-6-11(2)20(26)17(8-13)24(31)32)14-7-12(3)21(27)18(9-14)25(33)34/h4-9,26,28H,1-3H3,(H,29,30)(H,31,32)(H,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | IUPAC digitized pKa | -1 » -2 |
| 5.20 | IUPAC digitized pKa | -2 » -3 |
| 12.70 | IUPAC digitized pKa | -4 » -5 |