ethyl pyruvate

ScientificNameLabel

ethyl pyruvate
PHCD compound ID :	647
Chemical Names :	ethyl pyruvate
Molecular Formula :	C5H8O3
Molecular Weight :	116.047344

More Details :

Names & Synonyms:	ethyl 2-oxopropanoate , 2-oxopropanoic acid ethyl ester , ethyl 2-oxidanylidenepropanoate , 2-ketopropionic acid ethyl ester
Smiles:	CCOC(=O)C(=O)C
InChi :	InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
InChi Key :	InChIKey=XXRCUYVCPSWGCC-UHFFFAOYSA-N
PubChem ID :	12041

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.303218
Hydrogen bond donor count :	0	Electric dipole moment :	3.394
XLogP :	0.318	VDW volume :	116.134145
Molecular weight :	116.047344	HOMO-LUMO gap :	10.285000

Herb list :

Grape, Vine grape - Vitis vinifera - انگور

Refrences & Litretures:


40. Journal:'J. Agric. Food Chem' Year:'2003' Volume:'51' Page:'5408' DOI:'10.1021/jf030087i' Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'

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