| Formula | C8H15ClO2 |
| MW | 178.66 |
| InChIKey | QYZFPLZQMZFBAZ-UHFFFAOYSA-N |
| pubchem_compound_cid | 24999 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 104 |
| pubchem_cactvs_hbond_acceptor | 2 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 7 |
| pubchem_cactvs_subskeys | AAADccBwMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAACAOggEICCAAABAAIAACQCAAAAAAAAAAAAAEAAgAAABIBAAACAAAEAAAAAAGISAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | ethyl 6-chlorohexanoate |
| pubchem_iupac_cas_name | 6-chlorohexanoic acid ethyl ester |
| pubchem_iupac_systematic_name | ethyl 6-chloranylhexanoate |
| pubchem_iupac_traditional_name | 6-chlorohexanoic acid ethyl ester |
| pubchem_iupac_inchi | InChI=1S/C8H15ClO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3 |
| pubchem_iupac_inchikey | QYZFPLZQMZFBAZ-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | 2.1 |
| pubchem_exact_mass | 178.076057 |
| pubchem_molecular_formula | C8H15ClO2 |
| pubchem_molecular_weight | 178.6565 |
| pubchem_openeye_can_smiles | CCOC(=O)CCCCCCl |
| pubchem_openeye_iso_smiles | CCOC(=O)CCCCCCl |
| pubchem_cactvs_tpsa | 26.3 |
| pubchem_monoisotopic_weight | 178.076057 |
| 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 | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_coordinate_type | 1 |
| pubchem_xlogp3 | 0 |
