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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:42630 - propylbenzene
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ChEBI Ontology
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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.
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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
120.09390
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
View more database links
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
Types
Sources
23423853
PubMed citation
Europe PMC
24636564
PubMed citation
Europe PMC
Last Modified
23 October 2015