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Butyl acetoacetate

PropertiesImage
MNX_IDMNXM119949 Image of MNXM119949
referencechebi:173676
formulaC8H14O3
global charge0
mol weight158.197
InChIKeyREIYHFWZISXFKU-UHFFFAOYSA-N
InChIInChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
SMILESCCCCOC(=O)CC(C)=O
MNX internals
InChI (mnx)InChI=1/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3 Image of MNXM119949
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][O:11][C:8]([CH2:6][C:7]([CH3:2])=[O:9])=[O:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173676
chebi:173676
REIYHFWZISXFKU-UHFFFAOYSA-N
Butyl acetoacetate
butyl 3-oxobutanoate
hmdb:HMDB0040447
REIYHFWZISXFKU-UHFFFAOYSA-N
Butyl acetoacetate
Acetoacetic acid, butyl ester
Butanoic acid, 3-oxo-, butyl ester
Butyl 3-ketobutanoate
Butyl 3-ketobutyrate
Butyl 3-oxobutanoate
Butyl 3-oxobutanoic acid
Butyl 3-oxobutyrate
Butyl acetoacetic acid
Butylester kyseliny acetoctove
FEMA 2176
butyl 3-oxobutanoate

hmdb:HMDB40447
secondary/obsolete/fantasy identifier