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822-10-6 | 9,11-Octadecadienoic acid, methyl ester, (Z,Z)-
CAS No: 822-10-6 Catalog No: AG0056FQ MDL No:
Product Description
Catalog Number:
AG0056FQ
Chemical Name:
9,11-Octadecadienoic acid, methyl ester, (Z,Z)-
CAS Number:
822-10-6
Molecular Formula:
C19H34O2
Molecular Weight:
294.4721
IUPAC Name:
methyl octadeca-9,11-dienoate
InChI:
InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-11H,3-7,12-18H2,1-2H3
InChI Key:
KVIWYYOMPLJRMC-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C\C=C/CCCCCCCC(=O)OC
EC Number:
605-781-7
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.256g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.479g/mol
Monoisotopic Mass:
294.256g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.2
Literature
| Title | Journal |
|---|---|
| NMR properties of conjugated linoleic acid (CLA) methyl ester hydroperoxides. | Chemistry and physics of lipids 20080801 |
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