Molecule ID: mol11673
SMILES: CCC(C(=O)O)(C(=O)O)c1ccc(OC)cc1
InChI: InChI=1S/C12H14O5/c1-3-12(10(13)14,11(15)16)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.24 | IUPAC digitized pKa | -1 » -2 |
| 7.27 | IUPAC digitized pKa | -1 » -2 |