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126641-88-1

126641-88-1 structural image
Product Name: (R)-(+)-2-ACETOXY-4-PHENYLBUTYRONITRILE
Formula: C12H13NO2
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COMPUTED DESCRIPTORS

Molecular Weight 203.24 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 203.094628657 g/mol
Monoisotopic Mass 203.094628657 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 248
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