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CHEBI:64823 - 2,3-dimethylbenzoic acid

ChEBI IDCHEBI:64823
ChEBI Name2,3-dimethylbenzoic acid
Stars
DefinitionA dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 3.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILESCc1cccc(C(=O)O)c1C
InChIInChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyRIZUCYSQUWMQLX-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)
2,3-dimethylbenzoic acid (CHEBI:64823) has functional parent benzoic acid (CHEBI:30746)
2,3-dimethylbenzoic acid (CHEBI:64823) is a dimethylbenzoic acid (CHEBI:64810)
2,3-dimethylbenzoic acid (CHEBI:64823) is conjugate acid of 2,3-dimethylbenzoate (CHEBI:64824)
Incoming Relation(s)
2,3-dimethylbenzoate (CHEBI:64824) is conjugate base of 2,3-dimethylbenzoic acid (CHEBI:64823)
IUPAC Name 
2,3-dimethylbenzoic acid
Synonyms  Source
Hemellitic acidChemIDplus
2,3-dimethylbenzenecarboxylic acidChEBI
Registry NumbersSources
Reaxys:971590Reaxys
CAS:603-79-2ChemIDplus
CAS:603-79-2NIST Chemistry WebBook