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heptan-4-one

PropertiesImage
MNX_IDMNXM37461 Image of MNXM37461
referencechebi:89484
formulaC7H14O
global charge0
mol weight114.188
InChIKeyHCFAJYNVAYBARA-UHFFFAOYSA-N
InChIInChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
SMILESCCCC(=O)CCC
MNX internals
InChI (mnx)InChI=1/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 Image of MNXM37461
SMILES (mnx)[CH3:1][CH2:3][CH2:5][C:7]([CH2:6][CH2:4][CH3:2])=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:89484
chebi:89484
HCFAJYNVAYBARA-UHFFFAOYSA-N 		heptan-4-one
4-Oxoheptane
4-heptanone
Butyrone
Di-n-propyl ketone
Dipropyl ketone
Propyl ketone

sabiork.compound:25782
sabiorkM:25782
HCFAJYNVAYBARA-UHFFFAOYSA-N 		4-Heptanone
hmdb:HMDB0004814
HCFAJYNVAYBARA-UHFFFAOYSA-N 		4-Heptanone
4-Oxoheptane
Butyrone
Di-N-propyl ketone
Dipropyl ketone
Heptan-4-one
Propyl ketone
heptan-4-one
propyl ketone

lipidmaps:LMFA12000118
lipidmapsM:LMFA12000118
HCFAJYNVAYBARA-UHFFFAOYSA-N 		Heptan-4-one
Heptan-4-one

envipath:...09ff09624017
envipathM:...09ff09624017
HCFAJYNVAYBARA-UHFFFAOYSA-N 		compound 0060566

SLM:000597963
slm:000597963
HCFAJYNVAYBARA-UHFFFAOYSA-N 		heptan-4-one

hmdb:HMDB04814 		secondary/obsolete/fantasy identifier