| CID | 21 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 163 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAACCAAAAgAIAICQCAIAAAAAAAAAAAFAAAABABYIAAAAQAAEIAABAAAAAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-ethyl-2-hydroxy-3-oxo-butanoic acid |
| pubchem_iupac_cas_name | 2-ethyl-2-hydroxy-3-oxobutanoic acid |
| pubchem_iupac_systematic_name | 2-ethyl-2-hydroxy-3-oxo-butanoic acid |
| pubchem_iupac_traditional_name | 2-ethyl-2-hydroxy-3-keto-butyric acid |
| pubchem_nist_inchi | InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 146.057909 |
| pubchem_molecular_formula | C6H10O4 |
| pubchem_molecular_weight | 146.1412 |
| pubchem_openeye_can_smiles | CCC(C(=O)C)(C(=O)O)O |
| pubchem_openeye_iso_smiles | CCC(C(=O)C)(C(=O)O)O |
| pubchem_cactvs_tpsa | 74.6 |
| pubchem_monoisotopic_weight | 146.057909 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 10 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 1 |
| 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 |
| pubchem_bondannotations | 5 1 3 |
