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xi-3,5-Dimethyl-2(5H)-furanone

PropertiesImage
MNX_IDMNXM145403 Image of MNXM145403
referencechebi:173378
formulaC6H8O2
global charge0
mol weight112.128
InChIKeySAXRUMLUKZBSTO-UHFFFAOYSA-N
InChIInChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3
SMILESCC1=CC(C)OC1=O
MNX internals
InChI (mnx)InChI=1/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3/t5? Image of MNXM145403
SMILES (mnx)[CH3:1][C:4]1=[CH:3][CH:5]([CH3:2])[O:8][C:6]1=[O:7]
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:173378
chebi:173378
SAXRUMLUKZBSTO-UHFFFAOYSA-N
xi-3,5-Dimethyl-2(5H)-furanone
2,4-dimethyl-2H-uran-5-one
hmdb:HMDB0039778
SAXRUMLUKZBSTO-UHFFFAOYSA-N
xi-3,5-Dimethyl-2(5H)-furanone
3,5-dimethyl-2,5-dihydrofuran-2-one
3,5-dimethyl-5H-furan-2-one

hmdb:HMDB39778
secondary/obsolete/fantasy identifier