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475-03-6

475-03-6 structural image
Product Name: 1,1,6-TRIMETHYLTETRALIN
Formula: C13H18
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1255

COMPUTED DESCRIPTORS

Molecular Weight 174.28 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 174.140850574 g/mol
Monoisotopic Mass 174.140850574 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 181
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

1,1,6-trimethyltetralin is a member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively. It has a role as a metabolite. It is a member of tetralins and an ortho-fused bicyclic hydrocarbon. It derives from a hydride of a tetralin.