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100113-52-8
Catalog No.:AA0000WH
2,4,6-Nonatrienal, (2E,4E,6Z)- | 100113-52-8
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1mg
3 weeks  
$250.00
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5mg
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$795.00
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10mg
3 weeks  
$1,300.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0000WH
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
Computed 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  

Synonyms
 
(E,E,Z)-2,4,6-nonatrienal 
2,4,6-nonatrienal 
2,4,6-nonatrien-1-al 
ACMC-20m377 
CTK0G9063 
CTK1G8746 
CTK1G9952 
AKOS030254957 
UNII-20PTM8XPYY 
(E,E,Z)-2,4,6-nonatrienal 
UNII-6791472F8N 
C9-H12-O 
2,4,6-Nonatrienal 
2,4,6-Nonatrienal, (E,E,Z)- 
FEMA no. 4187, (2E,4E,6Z)- 
100113-52-8 
2,4,6-Nonatrienal, (2E,4E,6E)- 
2,4,6-Nonatrienal, (2E,4E,6Z)- 
NONA-2,4,6-TRIENAL 
56269-22-8 
nonatrienal 
57018-53-8 
Literature

Title: Identification and formation of volatile components responsible for the characteristic aroma of mat rush (igusa).

Journal: Bioscience, biotechnology, and biochemistry 20100101

Title: Analysis of 2,4,6-nonatrienal geometrical isomers from male flea beetles, Epitrix hirtipennis and E. fuscula.

Journal: Journal of agricultural and food chemistry 20080709

Title: Male-produced aggregation pheromone compounds from the eggplant flea beetle (Epitrix fuscula): identification, synthesis, and field biossays.

Journal: Journal of chemical ecology 20061101

Title: Characterization of the key aroma compounds in the beverage prepared from Darjeeling black tea: quantitative differences between tea leaves and infusion.

Journal: Journal of agricultural and food chemistry 20060208

Title: Characterization of (E,E,Z)-2,4,6-nonatrienal as a character impact aroma compound of oat flakes.

Journal: Journal of agricultural and food chemistry 20051102

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