Molecule ID: mol31719
SMILES: O=C(O)CCC(CC(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C18H18O4/c19-16(20)11-12-18(13-17(21)22,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.22 | OCHEM | 0 » -1 |
| 4.22 | OCHEM | 0 » -1 |