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943225-53-4

943225-53-4 structural image
Product Name: Peroxydehydrotumulosic acid
Formula: C31H46O6
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COMPUTED DESCRIPTORS

Molecular Weight 514.7 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 514.32943918 g/mol
Monoisotopic Mass 514.32943918 g/mol
Topological Polar Surface Area 96.2 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 1070
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes