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72238-85-8

72238-85-8 structural image
Product Name: CAFFEINE-D9 (1,3,7-TRIMETHYL-D9)
Formula: C8H10N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 203.25 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 203.13686629 g/mol
Monoisotopic Mass 203.13686629 g/mol
Topological Polar Surface Area 58.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 293
Isotope Atom Count 9
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

Caffeine-D9 is an organic molecular entity.