CHEBI:173579 - 5-Oxo-2(5H)-isoxazolepropanenitrile

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ChEBI Name 5-Oxo-2(5H)-isoxazolepropanenitrile
ChEBI ID CHEBI:173579
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C6H6N2O2
Net Charge 0
Average Mass 138.126
Monoisotopic Mass 138.04293
InChI InChI=1S/C6H6N2O2/c7-3-1-4-8-5-2-6(9)10-8/h2,5H,1,4H2
InChIKey DNSSEQBYSHSUGR-UHFFFAOYSA-N
SMILES O1N(CCC#N)C=CC1=O
ChEBI Ontology
Outgoing 5-Oxo-2(5H)-isoxazolepropanenitrile (CHEBI:173579) is a isoxazoles (CHEBI:55373)
IUPAC Name
3-(5-oxo-1,2-oxazol-2-yl)propanenitrile
Manual Xrefs Databases
149543 ChemSpider
HMDB0031338 HMDB
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Registry Number Type Source
51580-99-5 CAS Registry Number ChemIDplus