Molecule ID: mol11496

SMILES: O=C(O)[C@@H]1C[C@@]1(C(=O)O)c1ccccc1

InChI: InChI=1S/C11H10O4/c12-9(13)8-6-11(8,10(14)15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)/t8-,11+/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.48 IUPAC digitized pKa 0 » -1
3.48 AttenGpKa training set 0 » -1
6.08 IUPAC digitized pKa -1 » -2
6.08 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization