Molecule ID: mol35055

SMILES: CC(C)=C1C2C(C(=O)O)=C(C(=O)O)C1C(C(=O)O)=C2C(=O)O

InChI: InChI=1S/C14H12O8/c1-3(2)4-5-7(11(15)16)9(13(19)20)6(4)10(14(21)22)8(5)12(17)18/h5-6H,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization