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116981-86-3

116981-86-3 structural image
Product Name: 4-(TRIFLUOROMETHYL)UMBELLIFERYL-BETA-D-GLUCOPYRANOSIDE
Formula: C16H15F3O8
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COMPUTED DESCRIPTORS

Molecular Weight 392.28 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 3
Exact Mass 392.07190192 g/mol
Monoisotopic Mass 392.07190192 g/mol
Topological Polar Surface Area 126 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 595
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes