Formula | H4CaCl2O6 |
MW | 211.01 |
InChIKey | YALMXYPQBUJUME-UHFFFAOYSA-L |
pubchem_compound_cid | 24978 |
pubchem_compound_canonicalized | 1 |
pubchem_cactvs_complexity | 37 |
pubchem_cactvs_hbond_acceptor | 6 |
pubchem_cactvs_hbond_donor | 0 |
pubchem_cactvs_rotatable_bond | 0 |
pubchem_cactvs_subskeys | AAADcQAAOAAGAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
pubchem_iupac_openeye_name | calcium;dichlorate |
pubchem_iupac_cas_name | calcium;dichlorate |
pubchem_iupac_systematic_name | calcium;dichlorate |
pubchem_iupac_traditional_name | calcium;dichlorate |
pubchem_iupac_inchi | InChI=1S/Ca.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2 |
pubchem_iupac_inchikey | YALMXYPQBUJUME-UHFFFAOYSA-L |
pubchem_xlogp3_aa | 0 |
pubchem_exact_mass | 205.869784 |
pubchem_molecular_formula | CaCl2O6 |
pubchem_molecular_weight | 206.9804 |
pubchem_openeye_can_smiles | [O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ca+2] |
pubchem_openeye_iso_smiles | [O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ca+2] |
pubchem_cactvs_tpsa | 114 |
pubchem_monoisotopic_weight | 205.869784 |
pubchem_total_charge | 0 |
pubchem_heavy_atom_count | 9 |
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 | 3 |
pubchem_cactvs_tauto_count | 1 |
pubchem_coordinate_type | 1 |
pubchem_xlogp3 | 0 |