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7319-59-7

7319-59-7 structural image
Product Name: 1-Acetoxy-3-methylcholanthrene
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COMPUTED DESCRIPTORS

Molecular Weight 326.4 g/mol
XLogP3 5.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 326.130679813 g/mol
Monoisotopic Mass 326.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 528
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes