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CHEBI:64821 - 3,5-dimethylbenzoic acid

Default Structure
ChEBI IDCHEBI:64821
ChEBI Name3,5-dimethylbenzoic acid
Stars
DefinitionA dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 5.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILESCc1cc(C)cc(C(=O)O)c1
InChIInChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyUMVOQQDNEYOJOK-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)
3,5-dimethylbenzoic acid (CHEBI:64821) has functional parent benzoic acid (CHEBI:30746)
3,5-dimethylbenzoic acid (CHEBI:64821) is a dimethylbenzoic acid (CHEBI:64810)
3,5-dimethylbenzoic acid (CHEBI:64821) is conjugate acid of 3,5-dimethylbenzoate (CHEBI:64822)
Incoming Relation(s)
3,5-dimethylbenzoate (CHEBI:64822) is conjugate base of 3,5-dimethylbenzoic acid (CHEBI:64821)
IUPAC Name 
3,5-dimethylbenzoic acid
Synonym  Source
Mesitylenic acidNIST Chemistry WebBook
Registry NumbersSources
Reaxys:1072182Reaxys
CAS:499-06-9ChemIDplus
CAS:499-06-9NIST Chemistry WebBook