| CID | 51 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 171 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 4 |
| pubchem_cactvs_subskeys | AAADcYBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACASAgAAACAAAAgAIAICQCAIAAAAAAAAAAAFAAAAAABIAAAAAQAAEAAAAAACLJgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-oxopentanedioic acid |
| pubchem_iupac_cas_name | 2-oxopentanedioic acid |
| pubchem_iupac_systematic_name | 2-oxopentanedioic acid |
| pubchem_iupac_traditional_name | 2-ketoglutaric acid |
| pubchem_nist_inchi | InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 146.021523 |
| pubchem_molecular_formula | C5H6O5 |
| pubchem_molecular_weight | 146.09814 |
| pubchem_openeye_can_smiles | C(CC(=O)O)C(=O)C(=O)O |
| pubchem_openeye_iso_smiles | C(CC(=O)O)C(=O)C(=O)O |
| pubchem_cactvs_tpsa | 91.7 |
| pubchem_monoisotopic_weight | 146.021523 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 10 |
| 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 | 2 |
