Molecule ID: mol12150
SMILES: O=C(c1ccc(C(=O)O)c(C(=O)O)c1)c1ccc(C(=O)O)c(C(=O)O)c1
InChI: InChI=1S/C17H10O9/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.12 | IUPAC digitized pKa | 0 » -1 |
| 2.42 | IUPAC digitized pKa | -1 » -2 |
| 4.02 | IUPAC digitized pKa | -3 » -4 |
| 4.34 | IUPAC digitized pKa | -3 » -4 |