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85443-48-7

85443-48-7 structural image
Product Name: bencianol
Formula: C28H22O6
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COMPUTED DESCRIPTORS

Molecular Weight 454.5 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 454.14163842 g/mol
Monoisotopic Mass 454.14163842 g/mol
Topological Polar Surface Area 88.4 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 670
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes