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CHEBI:61724 - hept-2-enal

ChEBI IDCHEBI:61724
ChEBI Namehept-2-enal
Stars
DefinitionAn enal consisting of hept-2-ene having an oxo group at the 1-position.
Last Modified16 June 2017
Submitterzjosephs
DownloadsMolfile
FormulaC7H12O
Net Charge0
Average Mass112.172
Monoisotopic Mass112.08882
SMILES[H]C(=O)C([H])=C([H])CCCC
InChIInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3
InChIKeyNDFKTBCGKNOHPJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
hept-2-enal (CHEBI:61724) is a n-alk-2-enal (CHEBI:13757)
hept-2-enal (CHEBI:61724) is a monounsaturated fatty aldehyde (CHEBI:61870)
IUPAC Name 
hept-2-enal
Synonyms  Source
butylacroleinChemIDplus
3-butylacroleinChemIDplus
2-heptenalChemIDplus
Manual XrefsDatabases
LMFA06000019LIPID MAPS
Registry NumbersSources
Reaxys:1745160Reaxys
CAS:2463-63-0ChemIDplus
CAS:2463-63-0NIST Chemistry WebBook
Citations