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81250-17-1

81250-17-1 structural image
Product Name: 1-Allyl-3-isobutyl-8-methylxanthine
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COMPUTED DESCRIPTORS

Molecular Weight 262.31 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 262.14297583 g/mol
Monoisotopic Mass 262.14297583 g/mol
Topological Polar Surface Area 69.3 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 396
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes