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112404-27-0

112404-27-0 structural image
Product Name: 2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE
Formula: C16H17BrO3
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COMPUTED DESCRIPTORS

Molecular Weight 337.21 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 336.03611 g/mol
Monoisotopic Mass 336.03611 g/mol
Topological Polar Surface Area 51.2 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 399
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