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477866-04-9

477866-04-9 structural image
Product Name: ETHYL 5-CYANO-2-PHENYL-6-PIPERIDINONICOTINATE
Formula: C20H21N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 335.4 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 335.16337692 g/mol
Monoisotopic Mass 335.16337692 g/mol
Topological Polar Surface Area 66.2 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 488
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