CHEBI:64820 - 3,4-dimethylbenzoate

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ChEBI Name 3,4-dimethylbenzoate ChEBI ID CHEBI:64820 Definition A dimethylbenzoate 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 C9H9O2 Net Charge -1 Average Mass 149.16660 Monoisotopic Mass 149.06080 InChI InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)/p-1 InChIKey OPVAJFQBSDUNQA-UHFFFAOYSA-M SMILES Cc1ccc(cc1C)C([O-])=O ChEBI Ontology Outgoing 3,4-dimethylbenzoate (CHEBI:64820) has functional parent benzoate (CHEBI:16150) 3,4-dimethylbenzoate (CHEBI:64820) is a dimethylbenzoate (CHEBI:64813) 3,4-dimethylbenzoate (CHEBI:64820) is conjugate base of 3,4-dimethylbenzoic acid (CHEBI:64818) Incoming 3,4-dimethylbenzoic acid (CHEBI:64818) is conjugate acid of 3,4-dimethylbenzoate (CHEBI:64820) IUPAC Name 3,4-dimethylbenzoate Synonym Source 3,4-dimethylbenzoate anion ChEBI Manual Xref Database HMDB0002237 HMDB View more database links Registry Number Type Source 3904796 Reaxys Registry Number Reaxys Last Modified 23 July 2012