| CID | 30 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 193 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADcYBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACAihgAIACABAAgCIACzSyAAAAAAAAgAICACAAEAKBAAAAQAAEAAAAAAAkYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-amino-6-oxo-hexa-2,4-dienoic acid |
| pubchem_iupac_cas_name | 2-amino-6-oxohexa-2,4-dienoic acid |
| pubchem_iupac_systematic_name | 2-azanyl-6-oxo-hexa-2,4-dienoic acid |
| pubchem_iupac_traditional_name | 2-amino-6-keto-hexa-2,4-dienoic acid |
| pubchem_nist_inchi | InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 141.042593 |
| pubchem_molecular_formula | C6H7NO3 |
| pubchem_molecular_weight | 141.12468 |
| pubchem_openeye_can_smiles | C(=CC=O)C=C(C(=O)O)N |
| pubchem_openeye_iso_smiles | C(=CC=O)C=C(C(=O)O)N |
| pubchem_cactvs_tpsa | 80.4 |
| pubchem_monoisotopic_weight | 141.042593 |
| 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 | 2 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 4 |
| pubchem_bondannotations | 5 6 1
7 9 1 |
