ethyl(2E)-pentenoate

ScientificNameLabel

ethyl(2E)-pentenoate
PHCD compound ID :	4374
Chemical Names :	ethyl(2E)-pentenoate
Molecular Formula :	C7H12O2
Molecular Weight :	128.08373

More Details :

Names & Synonyms:	ethyl (E)-pent-2-enoate , (E)-2-pentenoic acid ethyl ester , (E)-pent-2-enoic acid ethyl ester
Smiles:	CC/C=C/C(=O)OCC
InChi :	InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChi Key :	InChIKey=AGMKVZDPATUSMS-AATRIKPKSA-N
PubChem ID :	5367761

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.529520
Hydrogen bond donor count :	0	Electric dipole moment :	2.113
XLogP :	1.944	VDW volume :	141.935887
Molecular weight :	128.08373	HOMO-LUMO gap :	10.487000

Herb list :

Cow-parsnip - Heracleum persicum - گلپر

Refrences & Litretures:


649. Journal:'Journal of Essential Oil Research' Year:'2004' Volume:'16' Page:'296' DOI:'10.1080/10412905.2004.9698725' Title:'Analysis of the Oil of Heracleum persicum L. (Seeds and Stems)'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us