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CHEBI:64825 - 2,5-dimethylbenzoic acid

ChEBI IDCHEBI:64825
ChEBI Name2,5-dimethylbenzoic acid
Stars
DefinitionA dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 5.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILESCc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyXZRHNAFEYMSXRG-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)
2,5-dimethylbenzoic acid (CHEBI:64825) has functional parent benzoic acid (CHEBI:30746)
2,5-dimethylbenzoic acid (CHEBI:64825) is a dimethylbenzoic acid (CHEBI:64810)
2,5-dimethylbenzoic acid (CHEBI:64825) is conjugate acid of 2,5-dimethylbenzoate (CHEBI:64826)
Incoming Relation(s)
2,5-dimethylbenzoate (CHEBI:64826) is conjugate base of 2,5-dimethylbenzoic acid (CHEBI:64825)
IUPAC Name 
2,5-dimethylbenzoic acid
Synonyms  Source
2,5-dimethylbenzenecarboxylic acidChEBI
Isoxylic acidNIST Chemistry WebBook
2-carboxy-1,4-dimethylbenzeneNIST Chemistry WebBook
Registry NumbersSources
Reaxys:971588Reaxys
CAS:610-72-0ChemIDplus
CAS:610-72-0NIST Chemistry WebBook