(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)-

Technical Data

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:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	3
XLogP3:	3