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ethyl 3-oxohexanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2373

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₈H₁₄O₃

charge

mass

158.09429

reference

InChIKey

KQWWVLVLVYYYDT-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3

SMILES

CCCC(=O)CC(=O)OCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18119 chebi:18119	ethyl 3-oxohexanoate Ethyl 3-oxohexanoate Ethyl butyrylacetate
hmdb:HMDB0031307	Ethyl 3-oxohexanoate 3-Keto-N-hexanoic acid ethyl ester ETHYL-3-oxohexanoATE Ethyl 3-oxohexanoic acid Ethyl alpha -butyrylacetate Ethyl alpha-butyrylacetate Ethyl beta-ketohexanoate Ethyl butyroacetate Ethyl butyrylacetate Ethyl butyrylacetic acid FEMA 3683 Hexanoic acid, 3-oxo-, ethyl ester ethyl 3-oxohexanoate
kegg.compound:C02975 keggC:C02975	Ethyl 3-oxohexanoate Ethyl butyrylacetate
seed.compound:cpd01905 seedM:cpd01905	Ethyl butyrylacetate Ethyl 3-oxohexanoate ethyl-3-oxohexanoate
metacyc.compound:ETHYL-3-OXOHEXANOATE metacycM:ETHYL-3-OXOHEXANOATE	ethyl-3-oxohexanoate
hmdb:HMDB31307 chebi:14227 chebi:23988 chebi:4894 keggC:M_C02975 seedM:M_cpd01905	secondary/obsolete/fantasy identifier