Molecule ID: mol11671
SMILES: CCC(C(=O)O)(C(=O)O)c1cccc(C)c1
InChI: InChI=1S/C12H14O4/c1-3-12(10(13)14,11(15)16)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.21 | IUPAC digitized pKa | -1 » -2 |
| 7.24 | IUPAC digitized pKa | -1 » -2 |