diethyl malonate

ScientificNameLabel

diethyl malonate
PHCD compound ID :	4720
Chemical Names :	diethyl malonate
Molecular Formula :	C7H12O4
Molecular Weight :	160.073559

More Details :

Names & Synonyms:	diethyl propanedioate , propanedioic acid diethyl ester , malonic acid diethyl ester
Smiles:	CCOC(=O)CC(=O)OCC
InChi :	InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChi Key :	InChIKey=IYXGSMUGOJNHAZ-UHFFFAOYSA-N
PubChem ID :	7761

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	4	Ionization potential :	10.833300
Hydrogen bond donor count :	0	Electric dipole moment :	3.611
XLogP :	1.189	VDW volume :	159.51634
Molecular weight :	160.073559	HOMO-LUMO gap :	11.776000

Herb list :

Alfalfa, Lucerne - Medicago sativa - یونجه

Refrences & Litretures:


749. Journal:'J. Agric. food Chem' Year:'1983' Volume:'31' Page:'38' DOI:'10.1021/jf00115a010' Title:'Composition of the Essential Oil of Alfalfa'

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