6064-90-0
Product Name:
METHYL HENEICOSANOATE
Formula:
C22H44O2
Synonyms:
Heneicosanoic acid methyl ester
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White crystalline solid; [Sigma-Aldrich MSDS] |
|---|---|
| Kovats Retention Index | 2410 2410 2415 2414 2409 2414 2409.2 404.8 |
| Chemical Classes | Other Classes -> Esters, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 340.6 g/mol |
|---|---|
| XLogP3 | 10.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 20 |
| Exact Mass | 340.334130642 g/mol |
| Monoisotopic Mass | 340.334130642 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 250 |
| 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 henicosanoate is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of henicosanoic acid with methanol. It has a role as a plant metabolite. It is functionally related to a henicosanoic acid.