| CID | 28 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 229 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 3 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADcYBiOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACAiBgAAACABAAgCIACTSSAAAAAAAAgAICACAAEAKBAAAAQAAEAAAAAAAkYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-aminohexa-2,4-dienedioic acid |
| pubchem_iupac_cas_name | 2-aminohexa-2,4-dienedioic acid |
| pubchem_iupac_systematic_name | 2-azanylhexa-2,4-dienedioic acid |
| pubchem_iupac_traditional_name | 2-aminohexa-2,4-dienedioic acid |
| pubchem_nist_inchi | InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 157.037508 |
| pubchem_molecular_formula | C6H7NO4 |
| pubchem_molecular_weight | 157.12408 |
| pubchem_openeye_can_smiles | C(=CC(=O)O)C=C(C(=O)O)N |
| pubchem_openeye_iso_smiles | C(=CC(=O)O)C=C(C(=O)O)N |
| pubchem_cactvs_tpsa | 101 |
| pubchem_monoisotopic_weight | 157.037508 |
| 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 | 4 |
| pubchem_bondannotations | 6 7 1
8 9 1 |
