Molecule ID: mol35899

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

InChI: InChI=1S/C6H10O3/c1-2-9-5-3-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.46 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization