Molecule ID: mol36355

SMILES: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1CC2

InChI: InChI=1S/C10H12O4/c11-9(12)7-5-1-2-6(4-3-5)8(7)10(13)14/h1-2,5-8H,3-4H2,(H,11,12)(H,13,14)/t5-,6+,7+,8-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.56 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization