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ethyl 3-oxohexanoate

PropertiesImage
MNX_IDMNXM2373 Image of MNXM2373
referencechebi:18119
formulaC8H14O3
global charge0
mol weight158.197
InChIKeyKQWWVLVLVYYYDT-UHFFFAOYSA-N
InChIInChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
SMILESCCCC(=O)CC(=O)OCC
MNX internals
InChI (mnx)InChI=1/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3 Image of MNXM2373
SMILES (mnx)[CH3:1][CH2:3][CH2:5][C:7]([CH2:6][C:8](=[O:10])[O:11][CH2:4][CH3:2])=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18119
chebi:18119
KQWWVLVLVYYYDT-UHFFFAOYSA-N
ethyl 3-oxohexanoate
Ethyl 3-oxohexanoate
Ethyl butyrylacetate
hmdb:HMDB0031307
KQWWVLVLVYYYDT-UHFFFAOYSA-N
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
KQWWVLVLVYYYDT-UHFFFAOYSA-N
Ethyl 3-oxohexanoate
Ethyl butyrylacetate

seed.compound:cpd01905
seedM:cpd01905
KQWWVLVLVYYYDT-UHFFFAOYSA-N
Ethyl butyrylacetate
Ethyl 3-oxohexanoate
ethyl-3-oxohexanoate

metacyc.compound:ETHYL-3-OXOHEXANOATE
metacycM:ETHYL-3-OXOHEXANOATE
KQWWVLVLVYYYDT-UHFFFAOYSA-N
ethyl-3-oxohexanoate

hmdb:HMDB31307
chebi:14227
chebi:23988
chebi:4894
keggC:M_C02975
seedM:M_cpd01905
secondary/obsolete/fantasy identifier