Molecule ID: mol9538
SMILES: C=CC#CCC(=O)O
InChI: InChI=1S/C6H6O2/c1-2-3-4-5-6(7)8/h2H,1,5H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.39 | IUPAC digitized pKa | 0 » -1 |
| 3.41 | Datawarrior | 0 » -1 |
| 3.41 | QSARToolbox | 0 » -1 |
| 3.41 | QSARToolbox | 0 » -1 |
| 3.41 | OCHEM | 0 » -1 |