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849924-84-1

849924-84-1 structural image
Product Name: 3,5-BIS(METHYLSULFONYL)BENZONITRILE
Formula: C9H9NO4S2
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COMPUTED DESCRIPTORS

Molecular Weight 259.3 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 258.99730012 g/mol
Monoisotopic Mass 258.99730012 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 460
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