CHEBI:64821 - 3,5-dimethylbenzoic acid

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ChEBI Name 3,5-dimethylbenzoic acid
ChEBI ID CHEBI:64821
Definition A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H10O2
Net Charge 0
Average Mass 150.17450
Monoisotopic Mass 150.068
InChI InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey UMVOQQDNEYOJOK-UHFFFAOYSA-N
SMILES Cc1cc(C)cc(c1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 3,5-dimethylbenzoate (CHEBI:64822) is conjugate base of 3,5-dimethylbenzoic acid (CHEBI:64821)
IUPAC Name
3,5-dimethylbenzoic acid
Synonym Source
Mesitylenic acid NIST Chemistry WebBook
Registry Numbers Types Sources
1072182 Reaxys Registry Number Reaxys
499-06-9 CAS Registry Number ChemIDplus
499-06-9 CAS Registry Number NIST Chemistry WebBook
Last Modified
23 July 2012