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52688-08-1

52688-08-1 structural image
Product Name: 2-Octyl cyanoacetate
Formula: C11H19NO2
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COMPUTED DESCRIPTORS

Molecular Weight 197.27 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 8
Exact Mass 197.141578849 g/mol
Monoisotopic Mass 197.141578849 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 205
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes