CHEBI:64818 - 3,4-dimethylbenzoic acid

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ChEBI Name 3,4-dimethylbenzoic acid ChEBI ID CHEBI:64818 Definition A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 4. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H10O2 Net Charge 0 Average Mass 150.17450 Monoisotopic Mass 150.06808 InChI InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11) InChIKey OPVAJFQBSDUNQA-UHFFFAOYSA-N SMILES Cc1ccc(cc1C)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 3,4-dimethylbenzoic acid (CHEBI:64818) has functional parent benzoic acid (CHEBI:30746) 3,4-dimethylbenzoic acid (CHEBI:64818) is a dimethylbenzoic acid (CHEBI:64810) 3,4-dimethylbenzoic acid (CHEBI:64818) is conjugate acid of 3,4-dimethylbenzoate (CHEBI:64820) Incoming 3,4-dimethylbenzoate (CHEBI:64820) is conjugate base of 3,4-dimethylbenzoic acid (CHEBI:64818) IUPAC Name 3,4-dimethylbenzoic acid Synonym Source 1-carboxy-3,4-dimethylbenzene HMDB Manual Xref Database HMDB0002237 HMDB View more database links Registry Numbers Types Sources 619-04-5 CAS Registry Number NIST Chemistry WebBook 619-04-5 CAS Registry Number ChemIDplus 907267 Reaxys Registry Number Reaxys Citation Type Source 8170375 PubMed citation Europe PMC Last Modified 23 July 2012