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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.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H10O2
Net Charge
0
Average Mass
150.17450
Monoisotopic Mass
150.06808
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 (Br
o
nsted 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