methyllinolelaidate

Compound Structure:

Synonyms:

Methyl (9E,12E)-octadeca-9,12-dienoate; Methyl linolelaidate; Methyl trans,trans-9,12-octadecadienoate; (9E,12E)-Methyl octadeca-9,12-dienoate; Linolelaidic acid, methyl ester; Methyl octadeca-9,12-dienoate; Linoelaidic acid methyl ester

Compound ID:

NMPC-1270

PubChem ID:

5362793

Molecular Formula:

C19H34O2

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC

InChIKey:

WTTJVINHCBCLGX-ZDVGBALWSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	294.5 g/mol
XLogP3-AA	6.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	294.255880323 g/mol
Monoisotopic Mass	294.255880323 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	279
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

Source: PubChem

Source Species:

Senna tora

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