Molecule ID: mol11513
SMILES: CCC(C(=O)O)(C(=O)O)c1ccccc1
InChI: InChI=1S/C11H12O4/c1-2-11(9(12)13,10(14)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | IUPAC digitized pKa | 0 » -1 |
| 7.12 | IUPAC digitized pKa | -1 » -2 |
| 7.12 | IUPAC digitized pKa | -1 » -2 |
| 7.16 | IUPAC digitized pKa | -1 » -2 |