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19145-95-0

19145-95-0 structural image
Product Name: (1r,4r)-methyl 4-cyanocyclohexanecarboxylate
Formula: C9H13NO2
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COMPUTED DESCRIPTORS

Molecular Weight 167.20 g/mol
XLogP3 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 167.094628657 g/mol
Monoisotopic Mass 167.094628657 g/mol
Topological Polar Surface Area 50.1 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