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CHEBI:36152 - 2-heptenoic acid

Default Structure
ChEBI IDCHEBI:36152
ChEBI Name2-heptenoic acid
Stars
DefinitionA heptenoic acid with the double bond at position 2.
Last Modified27 August 2015
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILES[H]C(=CC(=O)O)CCCC
InChIInChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyYURNCBVQZBJDAJ-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)
2-heptenoic acid (CHEBI:36152) is a heptenoic acid (CHEBI:36151)
2-heptenoic acid (CHEBI:36152) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
Incoming Relation(s)
2,6-dimethyl-5-methylenehept-2-enoic acid (CHEBI:36153) has functional parent 2-heptenoic acid (CHEBI:36152)
ethyl 2-heptenoate (CHEBI:87688) has functional parent 2-heptenoic acid (CHEBI:36152)
(E)-hept-2-enoic acid (CHEBI:38364) is a 2-heptenoic acid (CHEBI:36152)
(2Z)-3-bromohept-2-enoic acid (CHEBI:34329) is a 2-heptenoic acid (CHEBI:36152)
cis-2-heptenoic acid (CHEBI:38365) is a 2-heptenoic acid (CHEBI:36152)
IUPAC Name 
hept-2-enoic acid
Synonyms  Source
(1-hexenyl)carboxylic acidChEBI
2-heptenoic acidsChEBI
3-(n-butyl)acrylic acidChEBI
7:1, n-5NIST Chemistry WebBook
C7:1, n-5ChEBI
hept-2-enoic acidsChEBI
Manual XrefsDatabases
LMFA01030012LIPID MAPS
Registry NumbersSources
Reaxys:1745121Reaxys
CAS:18999-28-5NIST Chemistry WebBook
CAS:18999-28-5ChemIDplus