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268730-72-9

268730-72-9 structural image
Product Name: 4-(4-OXO-PIPERIDINE-1-CARBONYL)-BENZONITRILE
Formula: C13H12N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 228.25 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 228.089877630 g/mol
Monoisotopic Mass 228.089877630 g/mol
Topological Polar Surface Area 61.2 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 351
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