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5743-17-9

5743-17-9 structural image
Product Name: CAFFEINE BENZOATE
Formula: C15H16N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 316.31 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 316.11715500 g/mol
Monoisotopic Mass 316.11715500 g/mol
Topological Polar Surface Area 95.7 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 397
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 2
Compound Is Canonicalized Yes