| Formula | C9H15NO2 |
| MW | 169.22 |
| InChIKey | WPGIMPZMPWRYAI-UHFFFAOYSA-N |
| pubchem_compound_cid | 24976 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 169 |
| pubchem_cactvs_hbond_acceptor | 3 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 7 |
| pubchem_cactvs_subskeys | AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAACAChgAICCAAABAAYBACQCAAAAAAAAAAAAAEAAAAAgBIAAAACAAAEAAAAAAmIyCCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | ethyl 6-cyanohexanoate |
| pubchem_iupac_cas_name | 6-cyanohexanoic acid ethyl ester |
| pubchem_iupac_systematic_name | ethyl 6-cyanohexanoate |
| pubchem_iupac_traditional_name | 6-cyanohexanoic acid ethyl ester |
| pubchem_iupac_inchi | InChI=1S/C9H15NO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-7H2,1H3 |
| pubchem_iupac_inchikey | WPGIMPZMPWRYAI-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | 1.4 |
| pubchem_exact_mass | 169.110279 |
| pubchem_molecular_formula | C9H15NO2 |
| pubchem_molecular_weight | 169.2209 |
| pubchem_openeye_can_smiles | CCOC(=O)CCCCCC#N |
| pubchem_openeye_iso_smiles | CCOC(=O)CCCCCC#N |
| pubchem_cactvs_tpsa | 50.1 |
| pubchem_monoisotopic_weight | 169.110279 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 12 |
| 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 | 1 |
| pubchem_coordinate_type | 1 |
| pubchem_xlogp3 | 0 |
