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2850-36-4

2850-36-4 structural image
Product Name: 1,3-DI-N-BUTYLXANTHINE
Formula: C13H20N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 264.32 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 264.15862589 g/mol
Monoisotopic Mass 264.15862589 g/mol
Topological Polar Surface Area 69.3 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 348
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