CHEBI:173254 - 5-Butyl-1,4-dioxan-2-one

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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-Butyl-1,4-dioxan-2-one
ChEBI ID CHEBI:173254
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H14O3
Net Charge 0
Average Mass 158.197
Monoisotopic Mass 158.09429
InChI InChI=1S/C8H14O3/c1-2-3-4-7-5-11-8(9)6-10-7/h7H,2-6H2,1H3
InChIKey DVBUFRRUKPQWBU-UHFFFAOYSA-N
SMILES O1C(CCCC)COC(=O)C1
ChEBI Ontology
Outgoing 5-Butyl-1,4-dioxan-2-one (CHEBI:173254) is a dioxanes (CHEBI:46926)
IUPAC Name
5-butyl-1,4-dioxan-2-one
Manual Xrefs Databases
21258150 ChemSpider
HMDB0059938 HMDB
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Registry Number Type Source
92351-85-4 CAS Registry Number ChemIDplus