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39597-90-5

39597-90-5 structural image
Product Name: endo-2,3-epoxy-7,8-dioxabicyclo(2.2.2)oct-5-one
Formula: C6H6O3
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COMPUTED DESCRIPTORS

Molecular Weight 126.11 g/mol
XLogP3 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 126.031694049 g/mol
Monoisotopic Mass 126.031694049 g/mol
Topological Polar Surface Area 31 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 159
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes