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2492-43-5 | 2-Hexenal, 4-oxo-, (2E)-
CAS No: 2492-43-5 Catalog No: AG002PVZ MDL No:MFCD08690491
Product Description
Catalog Number:
AG002PVZ
Chemical Name:
2-Hexenal, 4-oxo-, (2E)-
CAS Number:
2492-43-5
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD08690491
IUPAC Name:
(E)-4-oxohex-2-enal
InChI:
InChI=1S/C6H8O2/c1-2-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+
InChI Key:
GVKYFODEMNCLGS-ONEGZZNKSA-N
SMILES:
CCC(=O)/C=C/C=O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Defensive roles of (E)-2-alkenals and related compounds in heteroptera. | Journal of chemical ecology 20120801 |
| Profiling and characterization of volatile secretions from the European stink bug Graphosoma lineatum (Heteroptera: Pentatomidae) by two-dimensional gas chromatography/time-of-flight mass spectrometry. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20120115 |
| Antibacterial activity of 4-oxo-(E)-2-hexenal from adults and nymphs of the heteropteran, Dolycoris baccarum (Heteroptera: Pentatomidae). | Bioscience, biotechnology, and biochemistry 20120101 |
| Detection of lipid peroxidation-induced DNA adducts caused by 4-oxo-2(E)-nonenal and 4-oxo-2(E)-hexenal in human autopsy tissues. | Chemical research in toxicology 20100920 |
| Trans-4-hydroxy-2-hexenal, a product of n-3 fatty acid peroxidation: make some room HNE.. | Free radical biology & medicine 20100701 |
| DNA modifications by the omega-3 lipid peroxidation-derived mutagen 4-oxo-2-hexenal in vitro and their analysis in mouse and human DNA. | Chemical research in toxicology 20100315 |
| Response of the egg parasitoids Trissolcus basalis and Telenomus podisi to compounds from defensive secretions of stink bugs. | Journal of chemical ecology 20090101 |
| 4-oxo-2-hexenal, a mutagen formed by omega-3 fat peroxidation: occurrence, detection and adduct formation. | Mutation research 20080101 |
| Lack of initiation activity of 4-oxo-2-hexenal, a peroxidation product generated from omega-3 polyunsaturated fatty acids, in an in vivo five-week liver assay. | Asian Pacific journal of cancer prevention : APJCP 20070101 |
| Detection of 4-oxo-2-hexenal, a novel mutagenic product of lipid peroxidation, in human diet and cooking vapor. | Mutation research 20060227 |
| Identification of 4-oxo-2-hexenal and other direct mutagens formed in model lipid peroxidation reactions as dGuo adducts. | Chemical research in toxicology 20060101 |
| 4-oxo-2-hexenal, a mutagen formed by omega-3 fat peroxidation, causes DNA adduct formation in mouse organs. | Industrial health 20051001 |
| Short and simple syntheses of 4-oxo-(E)-2-hexenal and homologs: pheromone components and defensive compounds of Hemiptera. | Journal of chemical ecology 20050401 |
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