9, 12-Octadecadienoic acid (Z, Z)-, methyl ester

9, 12-Octadecadienoic acid (Z, Z)-, methyl ester
Compound Structure:
Synonyms: METHYL LINOLEATE;112-63-0;Linoleic acid methyl ester;methyl (9Z,12Z)-octadeca-9,12-dienoate;Methyl lineoleate;Linoleic acid, methyl ester;Methyl 9-cis,12-cis-octadecadienoate;Methyl octadecadienoate
Compound ID: NMPC-507
PubChem ID:

5284421
Molecular Formula: C19H34O2
Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC
InChIKey: WTTJVINHCBCLGX-NQLNTKRDSA-N
About the compound:
Properties:

Chemical and Physical 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

26.3Ų

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

Physical Description

Liquid

Boiling Point

373.00 to 374.00 °C. @ 760.00 mm Hg

Melting Point

-35 °C

Source: PubChem
Source Species: Annona senegalensis
Senecio biafrae
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