(Z)-3-Hexenoic acid methyl ester

ScientificNameLabel

(Z)-3-Hexenoic acid methyl ester
PHCD compound ID :	3469
Chemical Names :	(Z)-3-Hexenoic acid methyl ester
Molecular Formula :	C7H12O2
Molecular Weight :	128.08373

More Details :

Names & Synonyms:	methyl (Z)-hex-3-enoate , (Z)-3-hexenoic acid methyl ester , (Z)-hex-3-enoic acid methyl ester
Smiles:	CC/C=C\CC(=O)OC
InChi :	InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4-
InChi Key :	InChIKey=XEAIHUDTEINXFG-PLNGDYQASA-N
PubChem ID :	5362819

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.959226
Hydrogen bond donor count :	0	Electric dipole moment :	2.319
XLogP :	1.874	VDW volume :	141.935887
Molecular weight :	128.08373	HOMO-LUMO gap :	10.664000

Herb list :

Horse chestnut - Aesculus hippocastanum - شاه بلوط هندی

Refrences & Litretures:


485. Journal:'J Chem Ecol' Year:'2006' Volume:'32' Page:'2303' DOI:'10.1007/s10886-006-9146-4' Title:'Volatile Emissions from Aesculus hippocastanum Induced by Mining of Larval Stages of Cameraria ohridella Influence Oviposition by Conspecific Females'

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