| CID | 3 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 229 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 3 |
| pubchem_cactvs_rotatable_bond | 1 |
| pubchem_cactvs_subskeys | AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAiAAAAAAAAAAAAAAAAGgAACAAADBSggAIACAAAAgCIAiDSCAAAAAAgAAAICAEAAEgJFBYAAQAAUAAF4AAJkYLKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid |
| pubchem_iupac_cas_name | 5,6-dihydroxy-1-cyclohexa-1,3-dienecarboxylic acid |
| pubchem_iupac_systematic_name | 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid |
| pubchem_iupac_traditional_name | 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid |
| pubchem_nist_inchi | InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 156.042259 |
| pubchem_molecular_formula | C7H8O4 |
| pubchem_molecular_weight | 156.13602 |
| pubchem_openeye_can_smiles | C1=CC(C(C(=C1)C(=O)O)O)O |
| pubchem_openeye_iso_smiles | C1=CC(C(C(=C1)C(=O)O)O)O |
| pubchem_cactvs_tpsa | 77.8 |
| pubchem_monoisotopic_weight | 156.042259 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 11 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 2 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_bondannotations | 5 12 3
6 13 3 |
