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p-toluate (CHEBI:28856)

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ChEBI Name p-toluate
ChEBI ID CHEBI:28856
ChEBI ASCII Name p-toluate
Last Modified 26 September 2006
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20481
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InChI
InChI=1/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1/fC8H7O2/q-1
InChIKey
InChIKey=LPNBBFKOUUSUDB-CAGLWTAICL
SMILES
Cc1ccc(cc1)C([O-])=O
Formula Source
C8H7O2 UM-BBD
Charge -1
Mass 135.13998
ChEBI Ontology
Tree view
Outgoing p-toluate (CHEBI:28856) is a toluate (CHEBI:27021)
p-toluate (CHEBI:28856) is conjugate base of p-toluic acid (CHEBI:36635)
Incoming p-toluic acid (CHEBI:36635) is conjugate acid of p-toluate (CHEBI:28856)
IUPAC Name
4-methylbenzoate
Synonyms Sources
p-Toluate UM-BBD
p-Toluate KEGG COMPOUND
Toluate KEGG COMPOUND
Database Links Databases
C01454 KEGG COMPOUND
c0202 UM-BBD
Registry Number Type Source
3904552 Beilstein Registry Number Beilstein

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