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36776-32-6

36776-32-6 structural image
Product Name: 4-(2-Hydroxyacetyl)benzonitrile
Formula: C9H7NO2
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COMPUTED DESCRIPTORS

Molecular Weight 161.16 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 161.047678466 g/mol
Monoisotopic Mass 161.047678466 g/mol
Topological Polar Surface Area 61.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 208
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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