Molecule ID: mol34142
SMILES: CC(=O)OCC1=C(C(=O)O)C2C=CC1C2
InChI: InChI=1S/C11H12O4/c1-6(12)15-5-9-7-2-3-8(4-7)10(9)11(13)14/h2-3,7-8H,4-5H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.56 | QSARToolbox | 0 » -1 |
| 4.56 | QSARToolbox | 0 » -1 |