Molecule ID: mol12697

SMILES: CC1CC(C(=O)O)=[N+]([O-])C1(C)C

InChI: InChI=1S/C8H13NO3/c1-5-4-6(7(10)11)9(12)8(5,2)3/h5H,4H2,1-3H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.85 OCHEM 1 » 0
2.85 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization