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71172-45-7

71172-45-7 structural image
Product Name: 1-CYANOCYCLOHEPTYL ACETATE
Formula: C10H15NO2
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COMPUTED DESCRIPTORS

Molecular Weight 181.23 g/mol
XLogP3 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 181.110278721 g/mol
Monoisotopic Mass 181.110278721 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 231
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