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72117-78-3

72117-78-3 structural image
Product Name: 1-methyl-3-propylxanthine
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COMPUTED DESCRIPTORS

Molecular Weight 208.22 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 208.09602564 g/mol
Monoisotopic Mass 208.09602564 g/mol
Topological Polar Surface Area 69.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 294
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