Molecule ID: mol11506
SMILES: CCCC(=O)c1ccccc1C(=O)O
InChI: InChI=1S/C11H12O3/c1-2-5-10(12)8-6-3-4-7-9(8)11(13)14/h3-4,6-7H,2,5H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.23 | IUPAC digitized pKa | 0 » -1 |
| 4.41 | IUPAC digitized pKa | 0 » -1 |
| 4.55 | IUPAC digitized pKa | 0 » -1 |
| 4.61 | IUPAC digitized pKa | 0 » -1 |