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838871-76-4

838871-76-4 structural image
Product Name: 3-(3,3-BIS-METHYLSULFANYL-ACRYLOYL)-BENZONITRILE
Formula: C12H11NOS2
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COMPUTED DESCRIPTORS

Molecular Weight 249.4 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 249.02820632 g/mol
Monoisotopic Mass 249.02820632 g/mol
Topological Polar Surface Area 91.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 323
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes