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898767-54-9

898767-54-9 structural image
Product Name: 7-(4-CYANOPHENYL)-7-OXOHEPTANENITRILE
Formula: C14H14N2O
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COMPUTED DESCRIPTORS

Molecular Weight 226.27 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 226.110613074 g/mol
Monoisotopic Mass 226.110613074 g/mol
Topological Polar Surface Area 64.6 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 336
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