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68688-85-7

68688-85-7 structural image
Product Name: trans-3-Methyl-4,5-dihydrocholanthrene-4,5-diol
Formula: C21H18O2
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COMPUTED DESCRIPTORS

Molecular Weight 302.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 302.130679813 g/mol
Monoisotopic Mass 302.130679813 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 524
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes