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CHEBI:87682 - (2E)-hex-2-en-1-yl propanoate

ChEBI IDCHEBI:87682
ChEBI Name(2E)-hex-2-en-1-yl propanoate
Stars
ASCII Name(2E)-hex-2-en-1-yl propanoate
DefinitionThe propanoate ester of (2E)-hex-2-en-1-ol.
Last Modified27 August 2015
Submitternamrata
DownloadsMolfile
FormulaC9H16O2
Net Charge0
Average Mass156.225
Monoisotopic Mass156.11503
SMILESCCC/C=C/COC(=O)CC
InChIInChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+
InChIKeyLPWKTEHEFDVAQS-VOTSOKGWSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(2E)-hex-2-en-1-yl propanoate (CHEBI:87682) has role metabolite (CHEBI:25212)
(2E)-hex-2-en-1-yl propanoate (CHEBI:87682) is a propanoate ester (CHEBI:36243)
IUPAC Name 
(2E)-hex-2-en-1-yl propanoate
Synonym  Source
trans-2-hexenyl propionateNIST Chemistry WebBook
Registry NumbersSources
Reaxys:4243006Reaxys
CAS:53398-80-4ChemIDplus
CAS:53398-80-4NIST Chemistry WebBook