2-hexenoic acid methyl ester

ScientificNameLabel

2-hexenoic acid methyl ester
PHCD compound ID :	4611
Chemical Names :	2-hexenoic acid methyl ester
Molecular Formula :	C7H12O2
Molecular Weight :	128.08373

More Details :

Names & Synonyms:	methyl hex-2-enoate , 2-hexenoic acid methyl ester , hex-2-enoic acid methyl ester
Smiles:	CCC/C=C/C(=O)OC
InChi :	InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+
InChi Key :	InChIKey=GFUGBRNILVVWIE-AATRIKPKSA-N
PubChem ID :	61310

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.570501
Hydrogen bond donor count :	0	Electric dipole moment :	2.182
XLogP :	2.09	VDW volume :	141.935887
Molecular weight :	128.08373	HOMO-LUMO gap :	10.467000

Herb list :

Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ

Refrences & Litretures:


715. Journal:'Z Naturforsch C' Year:'2005' Volume:'60' Page:'369' DOI:'' Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'

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