| CID | 69 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 225 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACASAgAACCAAAAgCIAKDSCAIAAAAgIAAICABAAEgJBAAAAQAAEAAAAAAJkYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-hydroxy-6-oxo-hepta-2,4-dienoic acid |
| pubchem_iupac_cas_name | 2-hydroxy-6-oxohepta-2,4-dienoic acid |
| pubchem_iupac_systematic_name | 2-hydroxy-6-oxo-hepta-2,4-dienoic acid |
| pubchem_iupac_traditional_name | 2-hydroxy-6-keto-hepta-2,4-dienoic acid |
| pubchem_nist_inchi | InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 156.042259 |
| pubchem_molecular_formula | C7H8O4 |
| pubchem_molecular_weight | 156.13602 |
| pubchem_openeye_can_smiles | CC(=O)C=CC=C(C(=O)O)O |
| pubchem_openeye_iso_smiles | CC(=O)C=CC=C(C(=O)O)O |
| pubchem_cactvs_tpsa | 74.6 |
| pubchem_monoisotopic_weight | 156.042259 |
| 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 | 2 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 7 |
| pubchem_bondannotations | 5 6 1
7 9 1 |
