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898757-59-0

898757-59-0 structural image
Product Name: 4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-[(4-TRIFLUOROMETHYL)PHENYL]BUTYROPHENONE
Formula: C23H25F3O3
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COMPUTED DESCRIPTORS

Molecular Weight 406.4 g/mol
XLogP3 5.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 406.17557914 g/mol
Monoisotopic Mass 406.17557914 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 528
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