CHEBI:28856 - p-toluate

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ChEBI Name p-toluate
ChEBI ID CHEBI:28856
ChEBI ASCII Name p-toluate
Definition A toluate that is the conjugate base of p-toluic acid, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20481
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Formula C8H7O2
Net Charge -1
Average Mass 135.14050
Monoisotopic Mass 135.04515
InChI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey LPNBBFKOUUSUDB-UHFFFAOYSA-M
SMILES Cc1ccc(cc1)C([O-])=O
ChEBI Ontology
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
4-toluenecarboxylate ChEBI
p-Toluate UM-BBD
p-Toluate KEGG COMPOUND
Toluate KEGG COMPOUND
Manual Xrefs Databases
C01454 KEGG COMPOUND
c0202 UM-BBD
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Registry Numbers Types Sources
3904552 Beilstein Registry Number Beilstein
3904552 Reaxys Registry Number Reaxys
Last Modified
06 March 2014