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87260-25-1

87260-25-1 structural image
Product Name: 4-butyl-2-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate
Formula: C27H33NO2
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COMPUTED DESCRIPTORS

Molecular Weight 403.6 g/mol
XLogP3 8.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 9
Exact Mass 403.251129295 g/mol
Monoisotopic Mass 403.251129295 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 563
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