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139406-83-0

139406-83-0 structural image
Product Name: (S)-(+)-4-METHOXY-MANDELONITRILE
Formula: C9H9NO2
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COMPUTED DESCRIPTORS

Molecular Weight 163.17 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 163.063328530 g/mol
Monoisotopic Mass 163.063328530 g/mol
Topological Polar Surface Area 53.2 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 176
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