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58609-73-7

58609-73-7 structural image
Product Name: 2-(4-ISOBUTYLPHENYL)PROPANENITRILE
Formula: C13H17N
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 187.28 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 187.136099547 g/mol
Monoisotopic Mass 187.136099547 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 203
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(+-)-2-(4'-isobutylphenyl)propionitrile is a nitrile.