Ethyl trans-hex-2-enoate

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Ethyl trans-hex-2-enoate
PHCD compound ID :	2332
Chemical Names :	Ethyl trans-hex-2-enoate
Molecular Formula :	C8H14O2
Molecular Weight :	142.09938

More Details :

Names & Synonyms:	ethyl (E)-hex-2-enoate , (E)-2-hexenoic acid ethyl ester , (E)-hex-2-enoic acid ethyl ester
Smiles:	CCC/C=C/C(=O)OCC
InChi :	InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChi Key :	InChIKey=SJRXWMQZUAOMRJ-VOTSOKGWSA-N
PubChem ID :	5364778

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.514519
Hydrogen bond donor count :	0	Electric dipole moment :	2.177
XLogP :	2.513	VDW volume :	159.231872
Molecular weight :	142.09938	HOMO-LUMO gap :	10.466000

Herb list :

Strawberry - Fragaria vesca - توت فرنگی

Refrences & Litretures:


262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'

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