CHEBI:173379 - 5,5-Dimethyl-2(5H)-furanone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5,5-Dimethyl-2(5H)-furanone
ChEBI ID CHEBI:173379
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H8O2
Net Charge 0
Average Mass 112.128
Monoisotopic Mass 112.05243
InChI InChI=1S/C6H8O2/c1-6(2)4-3-5(7)8-6/h3-4H,1-2H3
InChIKey YNKQMZRTPPVLLL-UHFFFAOYSA-N
SMILES O1C(C=CC1=O)(C)C
ChEBI Ontology
Outgoing 5,5-Dimethyl-2(5H)-furanone (CHEBI:173379) is a butenolide (CHEBI:50523)
IUPAC Name
5,5-dimethyluran-2-one
Manual Xrefs Databases
27792 ChemSpider
HMDB0040260 HMDB
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Registry Number Type Source
20019-64-1 CAS Registry Number ChemIDplus