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37172-05-7

37172-05-7 structural image
Product Name: 1-ethynyl-2-(1-methylpropyl)cyclohexyl acetate
Formula: C14H22O2
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COMPUTED DESCRIPTORS

Molecular Weight 222.32 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 222.161979940 g/mol
Monoisotopic Mass 222.161979940 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 299
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes