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5875-45-6

5875-45-6 structural image
Product Name: 2,5-DI-TERT-BUTYLPHENOL
Formula: C14H22O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1517

COMPUTED DESCRIPTORS

Molecular Weight 206.32 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 206.167065321 g/mol
Monoisotopic Mass 206.167065321 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 206
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

2,5-di-tert-butylphenol is a member of the class of phenols that is phenol substituted by tert-butyl groups at position 2 and 5. It has a role as a plant metabolite and a mammalian metabolite. It is a member of phenols and an alkylbenzene.