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4640-72-6

4640-72-6 structural image
Product Name: 3-(4-BENZYL-PHENYL)-3-OXO-PROPIONITRILE
Formula: C16H13NO
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COMPUTED DESCRIPTORS

Molecular Weight 235.28 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 235.099714038 g/mol
Monoisotopic Mass 235.099714038 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 313
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

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