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28872-28-8 | 8,10,12-Octadecatrienoic acid, (8Z,10E,12Z)-
CAS No: 28872-28-8 Catalog No: AG002WWW MDL No:
Product Description
Catalog Number:
AG002WWW
Chemical Name:
8,10,12-Octadecatrienoic acid, (8Z,10E,12Z)-
CAS Number:
28872-28-8
Molecular Formula:
C18H30O2
Molecular Weight:
278.4296
IUPAC Name:
(8Z,10E,12Z)-octadeca-8,10,12-trienoic acid
InChI:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10-
InChI Key:
DQGMPXYVZZCNDQ-KDQYYBQISA-N
SMILES:
CCCCC/C=C\C=C\C=C/CCCCCCC(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
278.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.436g/mol
Monoisotopic Mass:
278.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| jacaric acid, a linolenic acid isomer with a conjugated triene system, reduces stearoyl-CoA desaturase expression in liver of mice. | Journal of oleo science 20120101 |
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