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16326-32-2 | 6,9,12-Octadecatrienoic acid, methyl ester, (6Z,9Z,12Z)-
CAS No: 16326-32-2 Catalog No: AG001TYC MDL No:MFCD00010455
Product Description
Catalog Number:
AG001TYC
Chemical Name:
6,9,12-Octadecatrienoic acid, methyl ester, (6Z,9Z,12Z)-
CAS Number:
16326-32-2
Molecular Formula:
C19H32O2
Molecular Weight:
292.4562
MDL Number:
MFCD00010455
IUPAC Name:
methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
InChI:
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7-,11-10-,14-13-
InChI Key:
JFRWATCOFCPIBM-JPFHKJGASA-N
SMILES:
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
292.24g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.463g/mol
Monoisotopic Mass:
292.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| Antimicrobial activity of n-6, n-7 and n-9 fatty acids and their esters for oral microorganisms. | Archives of oral biology 20100801 |
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