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6114-21-2

6114-21-2 structural image
Product Name: DELTA 9-TRANS 12-TRANS OCTADECADIENOIC ACID ETHYL ESTER
Formula: C20H36O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2527 2560 2515

COMPUTED DESCRIPTORS

Molecular Weight 308.5 g/mol
XLogP3 7.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 16
Exact Mass 308.271530387 g/mol
Monoisotopic Mass 308.271530387 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 292
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

9,12-Octadecadienoic acid, ethyl ester is a natural product found in Artemisia argyi and Dioscorea with data available.