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CHEBI:173677 - Propyl levulinate

ChEBI IDCHEBI:173677
ChEBI NamePropyl levulinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESCCCOC(=O)CCC(C)=O
InChIInChI=1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3
InChIKeyQOSMNYMQXIVWKY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Propyl levulinate (CHEBI:173677) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
propyl 4-oxopentanoate
Manual XrefsDatabases
191778ChemSpider
HMDB0041616HMDB
Registry NumbersSources
CAS:645-67-0ChemIDplus