Molecule ID: mol10454
SMILES: CCC(C(=O)O)=C(CC)C(=O)O
InChI: InChI=1S/C8H12O4/c1-3-5(7(9)10)6(4-2)8(11)12/h3-4H2,1-2H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | IUPAC digitized pKa | 0 » -1 |
| 6.20 | IUPAC digitized pKa | -1 » -2 |