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2442-49-1

2442-49-1 structural image
Product Name: LIGNOCERIC ACID METHYL ESTER
Formula: C25H50O2
Synonyms: Lignoceric acid methyl ester;Methyl tetracosanoate
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 187.54 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]
Kovats Retention Index 2732 2712 2713 2710 2715 2715 2715 2712.67 2714 2692 2708.6 2716 2687 450.2 450.3

COMPUTED DESCRIPTORS

Molecular Weight 382.7 g/mol
XLogP3 12.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 23
Exact Mass 382.381080833 g/mol
Monoisotopic Mass 382.381080833 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 288
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

Methyl tetracosanoate is a fatty acid methyl ester.