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832-66-6

832-66-6 structural image
Product Name: 1-Methylcaffeine
Formula: C9H12N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 208.22 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 208.09602564 g/mol
Monoisotopic Mass 208.09602564 g/mol
Topological Polar Surface Area 58.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 319
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

PRODUCT INTRODUCTION

description

8-methylcaffeine is an oxopurine.