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Home > Nitro Compounds > 774603-05-3
774603-05-3 | 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-
CAS No: 774603-05-3 Catalog No: AG0053DQ MDL No:
Product Description
Catalog Number:
AG0053DQ
Chemical Name:
9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-
CAS Number:
774603-05-3
Molecular Formula:
C18H31NO4
Molecular Weight:
325.4430
IUPAC Name:
12-nitrooctadeca-9,12-dienoic acid
InChI:
InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,20,21)
InChI Key:
ZYFTUIURWQWFKQ-UHFFFAOYSA-N
SMILES:
CCCCC/C=C(/[N+](=O)[O-])\C/C=C\CCCCCCCC(=O)O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.449g/mol
Monoisotopic Mass:
325.225g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| Nitrated fatty acids prevent TNFalpha-stimulated inflammatory and atherogenic responses in endothelial cells. | Biochemical and biophysical research communications 20091002 |
| Nitroalkenes suppress lipopolysaccharide-induced signal transducer and activator of transcription signaling in macrophages: a critical role of mitogen-activated protein kinase phosphatase 1. | Endocrinology 20080801 |
| Fatty acid transduction of nitric oxide signaling. Nitrolinoleic acid is a hydrophobically stabilized nitric oxide donor. | The Journal of biological chemistry 20050513 |
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