CHEBI:42630 - propylbenzene

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ChEBI Name propylbenzene
ChEBI ID CHEBI:42630
Definition An alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H12
Net Charge 0
Average Mass 120.19160
Monoisotopic Mass 120.094
InChI InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKey ODLMAHJVESYWTB-UHFFFAOYSA-N
SMILES CCCc1ccccc1
ChEBI Ontology
Outgoing propylbenzene (CHEBI:42630) is a alkylbenzene (CHEBI:38976)
Incoming 1-phenyl-1,2-propanedione (CHEBI:63552) has parent hydride propylbenzene (CHEBI:42630)
IUPAC Name
propylbenzene
Synonyms Sources
1-Phenylpropane ChemIDplus
1-Propylbenzene ChemIDplus
Isocumene NIST Chemistry WebBook
n-Propylbenzene ChemIDplus
Phenylpropane ChemIDplus
Manual Xref Database
HMDB0059877 HMDB
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Registry Numbers Types Sources
103-65-1 CAS Registry Number ChemIDplus
103-65-1 CAS Registry Number NIST Chemistry WebBook
1903006 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23423853 PubMed citation Europe PMC
24636564 PubMed citation Europe PMC
Last Modified
23 October 2015