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100113-52-8 | 2,4,6-Nonatrienal, (2E,4E,6Z)-
CAS No: 100113-52-8 Catalog No: AG0000Z9 MDL No:
Product Description
Catalog Number:
AG0000Z9
Chemical Name:
2,4,6-Nonatrienal, (2E,4E,6Z)-
CAS Number:
100113-52-8
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
nona-2,4,6-trienal
InChI:
InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-9H,2H2,1H3
InChI Key:
XHDSWFFUGPJMMN-UHFFFAOYSA-N
SMILES:
CC/C=C\C=C\C=C\C=O
FEMA Number:
4187
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Identification and formation of volatile components responsible for the characteristic aroma of mat rush (igusa). | Bioscience, biotechnology, and biochemistry 20100101 |
| Analysis of 2,4,6-nonatrienal geometrical isomers from male flea beetles, Epitrix hirtipennis and E. fuscula. | Journal of agricultural and food chemistry 20080709 |
| Male-produced aggregation pheromone compounds from the eggplant flea beetle (Epitrix fuscula): identification, synthesis, and field biossays. | Journal of chemical ecology 20061101 |
| Characterization of the key aroma compounds in the beverage prepared from Darjeeling black tea: quantitative differences between tea leaves and infusion. | Journal of agricultural and food chemistry 20060208 |
| Characterization of (E,E,Z)-2,4,6-nonatrienal as a character impact aroma compound of oat flakes. | Journal of agricultural and food chemistry 20051102 |
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