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344265-45-8

344265-45-8 structural image
Product Name: 4-(2-METHYL-3,5-DIOXO-1,4-THIAZINAN-4-YL)BENZENECARBONITRILE
Formula: C12H10N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 246.29 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 246.04629874 g/mol
Monoisotopic Mass 246.04629874 g/mol
Topological Polar Surface Area 86.5 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 379
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes