Molecule ID: mol15230
SMILES: CC(C)(C)c1ccc(C(=O)/C=C/C(=O)O)cc1
InChI: InChI=1S/C14H16O3/c1-14(2,3)11-6-4-10(5-7-11)12(15)8-9-13(16)17/h4-9H,1-3H3,(H,16,17)/b9-8+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.42 | Datawarrior | 0 » -1 |
| 3.42 | QSARToolbox | 0 » -1 |