Molecule ID: mol11511
SMILES: CC(CC(=O)O)(C(=O)O)c1ccccc1
InChI: InChI=1S/C11H12O4/c1-11(10(14)15,7-9(12)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | IUPAC digitized pKa | 0 » -1 |
| 3.58 | AttenGpKa training set | 0 » -1 |
| 6.38 | IUPAC digitized pKa | -1 » -2 |
| 6.38 | AttenGpKa training set | -1 » -2 |