(2E,4E,6E)-2,4,6-Nonatrienoic Acid Ethyl Ester - CAS 922528-07-2
Catalog: |
BB056686 |
Product Name: |
(2E,4E,6E)-2,4,6-Nonatrienoic Acid Ethyl Ester |
CAS: |
922528-07-2 |
Synonyms: |
ethyl nona-2,4,6-trienoate; (2E,4E,6E)-2,4,6-Nonatrienoic Acid Ethyl Ester; 2,4,6-Nonatrienoic acid, ethyl ester, (2E,4E,6E)- |
IUPAC Name: | ethyl nona-2,4,6-trienoate |
Description: | (2E,4E,6E)-2,4,6-Nonatrienoic Acid Ethyl Ester is an unsaturated ester that is used as a reagent to synthesize pheromone compounds that are produced by the male eggplant flea beetle. These pheromones are used for further study into the mating patterns and also have potential to protect the eggplants from unwanted pests. |
Molecular Weight: | 180.24 |
Molecular Formula: | C11H16O2 |
Canonical SMILES: | CCC=CC=CC=CC(=O)OCC |
InChI: | InChI=1S/C11H16O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h5-10H,3-4H2,1-2H3 |
InChI Key: | FTAHKPFYTOEBEA-UHFFFAOYSA-N |
References: | Zilkowski, B., et al. J. Chem. Ecol., 32, 2543 (2006). |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.115029749 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 3 |
XLogP3: | 3 |
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