| CID | 67 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 233 |
| pubchem_cactvs_hbond_acceptor | 7 |
| pubchem_cactvs_hbond_donor | 4 |
| pubchem_cactvs_rotatable_bond | 5 |
| pubchem_cactvs_subskeys | AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAAAgAIAICQCAIAAAAAAAAAAAFAAAABEBYAAAAAQAAFIAABAAHLTgAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 3,4,6-trihydroxy-2,5-dioxo-hexanoic acid |
| pubchem_iupac_cas_name | 3,4,6-trihydroxy-2,5-dioxohexanoic acid |
| pubchem_iupac_systematic_name | 3,4,6-trihydroxy-2,5-dioxo-hexanoic acid |
| pubchem_iupac_traditional_name | 3,4,6-trihydroxy-2,5-diketo-hexanoic acid |
| pubchem_nist_inchi | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 192.027003 |
| pubchem_molecular_formula | C6H8O7 |
| pubchem_molecular_weight | 192.12352 |
| pubchem_openeye_can_smiles | C(C(=O)C(C(C(=O)C(=O)O)O)O)O |
| pubchem_openeye_iso_smiles | C(C(=O)C(C(C(=O)C(=O)O)O)O)O |
| pubchem_cactvs_tpsa | 132 |
| pubchem_monoisotopic_weight | 192.027003 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 13 |
| 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 | 63 |
| pubchem_bondannotations | 8 1 3
9 2 3 |
