Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key PLYLAFITHJUEGX-UHFFFAOYSA-M
Smiles [Cl-].[Mg+]CC=C
InChI
InChI=1/C3H5.ClH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q;;+1/p-1/rC3H5Mg.ClH/c1-2-3-4;/h2H,1,3H2;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5ClMg
Molecular Weight 99.99
AlogP -2.24
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 263827
NORMAN SUSDAT