CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
---|---|
Boiling Point | 373.00 to 374.00 °C. @ 760.00 mm Hg |
Melting Point | -35 °C |
LogP | 6.82 |
Collision Cross Section | 187.2 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
Kovats Retention Index | 2071 2087 2069 2070 2061 2066.9 2078 2092 2100 2077 2072 2083 2070 2082 2087 2070 2067 2090 2078 2100 2100 2073 2073 |
COMPUTED DESCRIPTORS
Molecular Weight | 294.5 g/mol |
---|---|
XLogP3 | 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 | 26.3 Ų |
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 |
PRODUCT INTRODUCTION
description
Methyl linoleate is a fatty acid methyl ester of linoleic acid. It has been isolated from Neolitsea daibuensis. It has a role as a plant metabolite. It is functionally related to a linoleic acid.