Molecule ID: mol10612
SMILES: CC(=O)c1ccc(CC(=O)O)s1
InChI: InChI=1S/C8H8O3S/c1-5(9)7-3-2-6(12-7)4-8(10)11/h2-3H,4H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.76 | IUPAC digitized pKa | 0 » -1 |
| 3.80 | Datawarrior | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |