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59662-49-6

59662-49-6 structural image
Product Name: 4'-N-OCTYLBIPHENYL-4-CARBOXYLIC ACID
Formula: C21H26O2
Synonyms: 4′-Octyl-4-biphenylcarboxylic acid, 4′-n-octylbiphenyl-4-carboxylic acid;8BCA
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H413:Hazardous to the aquatic environment, long-term hazard

COMPUTED DESCRIPTORS

Molecular Weight 310.4 g/mol
XLogP3 7.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 9
Exact Mass 310.193280068 g/mol
Monoisotopic Mass 310.193280068 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 323
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

4-(4-octylphenyl)benzoic acid is a member of biphenyls and a carboxybiphenyl.