CID | 75 |
pubchem_compound_canonicalized | 1 |
pubchem_cactvs_complexity | 28 |
pubchem_cactvs_hbond_acceptor | 2 |
pubchem_cactvs_hbond_donor | 1 |
pubchem_cactvs_rotatable_bond | 2 |
pubchem_cactvs_subskeys | AAADcYBCIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACADhgAYAAABAAAAIAAgQgAAAAAAAAAAAAIEAAAAAAAgAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
pubchem_iupac_openeye_name | 3-aminopropanal |
pubchem_iupac_cas_name | 3-aminopropanal |
pubchem_iupac_systematic_name | 3-azanylpropanal |
pubchem_iupac_traditional_name | 3-aminopropionaldehyde |
pubchem_nist_inchi | InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2 |
pubchem_cactvs_xlogp | 0 |
pubchem_exact_mass | 73.052764 |
pubchem_molecular_formula | C3H7NO |
pubchem_molecular_weight | 73.09378 |
pubchem_openeye_can_smiles | C(CN)C=O |
pubchem_openeye_iso_smiles | C(CN)C=O |
pubchem_cactvs_tpsa | 43.1 |
pubchem_monoisotopic_weight | 73.052764 |
pubchem_total_charge | 0 |
pubchem_heavy_atom_count | 5 |
pubchem_atom_def_stereo_count | 0 |
pubchem_atom_udef_stereo_count | 0 |
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 | 2 |