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159183-52-5

159183-52-5 structural image
Product Name: (S)-3-(OXIRAN-2-YLMETHOXY)BENZONITRILE
Formula: C10H9NO2
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COMPUTED DESCRIPTORS

Molecular Weight 175.18 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 175.063328530 g/mol
Monoisotopic Mass 175.063328530 g/mol
Topological Polar Surface Area 45.6 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 220
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes