| CID | 80 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 255 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 3 |
| pubchem_cactvs_rotatable_bond | 1 |
| pubchem_cactvs_subskeys | AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAiAAAAAAAAAAAAAAAAGgAACAAADBSggAIACAAAAgCIAqDSCAIAAAAgAAAACAFAAEgBFBYAAQAAUAAE4AAJEYPK7CTAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 4,5-dihydroxy-3-oxo-cyclohexene-1-carboxylic acid |
| pubchem_iupac_cas_name | 4,5-dihydroxy-3-oxo-1-cyclohexenecarboxylic acid |
| pubchem_iupac_systematic_name | 4,5-dihydroxy-3-oxo-cyclohexene-1-carboxylic acid |
| pubchem_iupac_traditional_name | 4,5-dihydroxy-3-keto-cyclohexene-1-carboxylic acid |
| pubchem_nist_inchi | InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 172.037173 |
| pubchem_molecular_formula | C7H8O5 |
| pubchem_molecular_weight | 172.13542 |
| pubchem_openeye_can_smiles | C1C(C(C(=O)C=C1C(=O)O)O)O |
| pubchem_openeye_iso_smiles | C1C(C(C(=O)C=C1C(=O)O)O)O |
| pubchem_cactvs_tpsa | 94.8 |
| pubchem_monoisotopic_weight | 172.037173 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 12 |
| 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 | 20 |
| pubchem_bondannotations | 6 13 3
7 14 3 |
