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123-29-5 | Nonanoic acid, ethyl ester
CAS No: 123-29-5 Catalog No: AG000JWC MDL No:MFCD00009570
Product Description
Catalog Number:
AG000JWC
Chemical Name:
Nonanoic acid, ethyl ester
CAS Number:
123-29-5
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
MDL Number:
MFCD00009570
IUPAC Name:
ethyl nonanoate
InChI:
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
InChI Key:
BYEVBITUADOIGY-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)OCC
EC Number:
204-615-7
UNII:
KSH683S98J
NSC Number:
8901
FEMA Number:
2447
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Phytochemicals to suppress Fusarium head blight in wheat-chickpea rotation. | Phytochemistry 20120601 |
| Characterization of the volatile profile of Brazilian Merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection. | Journal of chromatography. A 20120224 |
| Drugs of abuse in oral fluid collected by two different sample kits--stability testing and validation using ultra performance tandem mass spectrometry analysis. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20111115 |
| A highly sensitive liquid chromatography tandem mass spectrometry method for simultaneous quantification of midazolam, 1'-hydroxymidazolam and 4-hydroxymidazolam in human plasma. | Biomedical chromatography : BMC 20111001 |
| First Steps Towards an Understanding of a Mode ofCarcinogenic Action for Vanadium Pentoxide. | Journal of toxicologic pathology 20110901 |
| Drug screening of whole blood by ultra-performance liquid chromatography-tandem mass spectrometry. | Journal of analytical toxicology 20110601 |
| Lack of effect of sublingual salvinorin A, a naturally occurring kappa opioid, in humans: a placebo-controlled trial. | Psychopharmacology 20110401 |
| Comparative analysis of the volatile fraction of fruit juice from different Citrus species. | PloS one 20110101 |
| Biophysical investigation of the mode of inhibition of tetramic acids, the allosteric inhibitors of undecaprenyl pyrophosphate synthase. | Biochemistry 20100629 |
| A robust method for quantification of volatile compounds within and between vintages using headspace-solid-phase micro-extraction coupled with GC-MS--application on Semillon wines. | Analytica chimica acta 20100215 |
| Quantitative ester analysis in cachaca and distilled spirits by gas chromatography-mass spectrometry (GC-MS). | Journal of agricultural and food chemistry 20080723 |
| Female-biased attraction of Oriental fruit fly, bactrocera dorsalis (Hendel), to a blend of host fruit volatiles from Terminalia catappa L. | Journal of chemical ecology 20061101 |
| Development of a pressurized liquid extraction and clean-up procedure for the determination of alpha-endosulfan, beta-endosulfan and endosulfan sulfate in aged contaminated Ethiopian soils. | Journal of chromatography. A 20060127 |
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