| CID | 58 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 95 |
| pubchem_cactvs_hbond_acceptor | 3 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 2 |
| pubchem_cactvs_subskeys | AAADcYBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACASAgAACCAAAAgAIAICQCAIAAAAAAAAAAAFAAAAAABAAAAAAQAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-oxobutanoic acid |
| pubchem_iupac_cas_name | 2-oxobutanoic acid |
| pubchem_iupac_systematic_name | 2-oxobutanoic acid |
| pubchem_iupac_traditional_name | 2-ketobutyric acid |
| pubchem_nist_inchi | InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 102.031694 |
| pubchem_molecular_formula | C4H6O3 |
| pubchem_molecular_weight | 102.08864 |
| pubchem_openeye_can_smiles | CCC(=O)C(=O)O |
| pubchem_openeye_iso_smiles | CCC(=O)C(=O)O |
| pubchem_cactvs_tpsa | 54.4 |
| pubchem_monoisotopic_weight | 102.031694 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 7 |
| 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 |
