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1117-59-5

1117-59-5 structural image
Product Name: HEXYL N-VALERATE
Formula: C11H22O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear colorless liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index 1266 1235 1286 1247 1247 1274 1247 1275 1268 1272
Chemical Classes Other Classes -> Esters, Other

COMPUTED DESCRIPTORS

Molecular Weight 186.29 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 9
Exact Mass 186.161979940 g/mol
Monoisotopic Mass 186.161979940 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 121
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

Hexyl valerate is a natural product found in Capsicum annuum with data available.