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7727-82-4

7727-82-4 structural image
Product Name: 5-BETA-CHOLANIC ACID-3,7,12-TRIONE METHYL ESTER
Formula: C25H36O5
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COMPUTED DESCRIPTORS

Molecular Weight 416.5 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 416.25627424 g/mol
Monoisotopic Mass 416.25627424 g/mol
Topological Polar Surface Area 77.5 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 772
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 8
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes