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107605-95-8

107605-95-8 structural image
Product Name: Caffeine IMpurity E HCl
Formula: C7H13ClN4O
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COMPUTED DESCRIPTORS

Molecular Weight 204.66 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 204.0777887 g/mol
Monoisotopic Mass 204.0777887 g/mol
Topological Polar Surface Area 59 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 173
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