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188297-90-7

188297-90-7 structural image
Product Name: Paraxanthine-1-methyl-D3
Formula: C7H8N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 183.18 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 183.08355575 g/mol
Monoisotopic Mass 183.08355575 g/mol
Topological Polar Surface Area 67.2 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 267
Isotope Atom Count 3
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