| CID | 93 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 183 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 5 |
| pubchem_cactvs_subskeys | AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACASAgAAACAAAAgAIAICQCAAAAAAAAAAAAAEAAAAAABYIAAAAQAAEIAAAAAGLSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 3-oxohexanedioic acid |
| pubchem_iupac_cas_name | 3-oxohexanedioic acid |
| pubchem_iupac_systematic_name | 3-oxohexanedioic acid |
| pubchem_iupac_traditional_name | 3-ketoadipic acid |
| pubchem_nist_inchi | InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 160.037173 |
| pubchem_molecular_formula | C6H8O5 |
| pubchem_molecular_weight | 160.12472 |
| pubchem_openeye_can_smiles | C(CC(=O)O)C(=O)CC(=O)O |
| pubchem_openeye_iso_smiles | C(CC(=O)O)C(=O)CC(=O)O |
| pubchem_cactvs_tpsa | 91.7 |
| pubchem_monoisotopic_weight | 160.037173 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 11 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| 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 | 5 |
