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5342-96-1

5342-96-1 structural image
Product Name: 4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile
Formula: C17H17N3O
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COMPUTED DESCRIPTORS

Molecular Weight 279.34 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 279.137162174 g/mol
Monoisotopic Mass 279.137162174 g/mol
Topological Polar Surface Area 88.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 440
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