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5-Octen-2-one

PropertiesImage
MNX_IDMNXM118293 Image of MNXM118293
referencechebi:172007
formulaC8H14O
global charge0
mol weight126.199
InChIKeyNBFKNCBRFJKDDR-PLNGDYQASA-N
InChIInChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
SMILESCC/C=C\CCC(C)=O
MNX internals
InChI (mnx)InChI=1/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4- Image of MNXM118293
SMILES (mnx)[CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6][CH2:7][C:8]([CH3:2])=[O:9]
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:172007
chebi:172007
NBFKNCBRFJKDDR-PLNGDYQASA-N
5-Octen-2-one
(Z)-oct-5-en-2-one
hmdb:HMDB0035390
NBFKNCBRFJKDDR-PLNGDYQASA-N
5-Octen-2-one
(5Z)-oct-5-en-2-one

hmdb:HMDB35390
secondary/obsolete/fantasy identifier