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68780-95-0

68780-95-0 structural image
Product Name: 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene
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COMPUTED DESCRIPTORS

Molecular Weight 318.4 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 318.125594432 g/mol
Monoisotopic Mass 318.125594432 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 531
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes