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221641-62-9

221641-62-9 structural image
Product Name: Benzonitrile, 4-(1,3-butadiynyl)- (9CI)
Formula: C11H5N
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COMPUTED DESCRIPTORS

Molecular Weight 151.16 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 151.042199164 g/mol
Monoisotopic Mass 151.042199164 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 300
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