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108614-27-3

108614-27-3 structural image
Product Name: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)-
Formula: C17H20O3
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COMPUTED DESCRIPTORS

Molecular Weight 272.34 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 272.14124450 g/mol
Monoisotopic Mass 272.14124450 g/mol
Topological Polar Surface Area 27.7 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 362
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