| CID | 17 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 279 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 2 |
| pubchem_cactvs_subskeys | AAADcYBiOAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAACAAACCjBgAQACAIAAgCoASDyDAQAAAAgAAAICAGQABgCABAAAQAAQAAEwAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2,3-dihydropyridine-2,6-dicarboxylic acid |
| pubchem_iupac_cas_name | 2,3-dihydropyridine-2,6-dicarboxylic acid |
| pubchem_iupac_systematic_name | 2,3-dihydropyridine-2,6-dicarboxylic acid |
| pubchem_iupac_traditional_name | 2,3-dihydropyridine-2,6-dicarboxylic acid |
| pubchem_nist_inchi | InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 169.037508 |
| pubchem_molecular_formula | C7H7NO4 |
| pubchem_molecular_weight | 169.13478 |
| pubchem_openeye_can_smiles | C1C=CC(=NC1C(=O)O)C(=O)O |
| pubchem_openeye_iso_smiles | C1C=CC(=NC1C(=O)O)C(=O)O |
| pubchem_cactvs_tpsa | 87 |
| pubchem_monoisotopic_weight | 169.037508 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 12 |
| 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 | 1 |
| pubchem_bondannotations | 6 13 3 |
