Ethyl 3-oxobutanoate

ScientificNameLabel

Ethyl 3-oxobutanoate
PHCD compound ID :	2290
Chemical Names :	Ethyl 3-oxobutanoate
Molecular Formula :	C6H10O3
Molecular Weight :	130.062994

More Details :

Names & Synonyms:	ethyl 3-oxobutanoate , 3-oxobutanoic acid ethyl ester , ethyl 3-oxidanylidenebutanoate , 3-ketobutyric acid ethyl ester
Smiles:	CCOC(=O)CC(=O)C
InChi :	InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChi Key :	InChIKey=XYIBRDXRRQCHLP-UHFFFAOYSA-N
PubChem ID :	8868

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.488267
Hydrogen bond donor count :	0	Electric dipole moment :	3.324
XLogP :	0.71	VDW volume :	133.430129
Molecular weight :	130.062994	HOMO-LUMO gap :	10.996000

Herb list :

Strawberry - Fragaria vesca - توت فرنگی

Refrences & Litretures:


262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'

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