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898785-62-1

898785-62-1 structural image
Product Name: 5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-IODOVALEROPHENONE
Formula: C17H23IO3
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COMPUTED DESCRIPTORS

Molecular Weight 402.27 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 402.06919 g/mol
Monoisotopic Mass 402.06919 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 333
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