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872-98-0

872-98-0 structural image
Product Name: 5,5-DIMETHYL-1,3-DIOXANE
Formula: C6H12O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 803

COMPUTED DESCRIPTORS

Molecular Weight 116.16 g/mol
XLogP3 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 116.083729621 g/mol
Monoisotopic Mass 116.083729621 g/mol
Topological Polar Surface Area 18.5 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 70.6
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