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961-45-5

961-45-5 structural image
Product Name: 8-PHENYLTHEOPHYLLINE
Formula: C13H12N4O2
Synonyms: 8-Phenyltheophylline
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COMPUTED DESCRIPTORS

Molecular Weight 256.26 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 256.09602564 g/mol
Monoisotopic Mass 256.09602564 g/mol
Topological Polar Surface Area 69.3 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 394
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