CHEBI:64822 - 3,5-dimethylbenzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,5-dimethylbenzoate
ChEBI ID CHEBI:64822
Definition A dimethylbenzoate in which the two methyl groups are located at positions 3 and 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H9O2
Net Charge -1
Average Mass 149.16660
Monoisotopic Mass 149.06080
InChI InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)/p-1
InChIKey UMVOQQDNEYOJOK-UHFFFAOYSA-M
SMILES Cc1cc(C)cc(c1)C([O-])=O
ChEBI Ontology
Outgoing 3,5-dimethylbenzoate (CHEBI:64822) has functional parent benzoate (CHEBI:16150)
3,5-dimethylbenzoate (CHEBI:64822) is a dimethylbenzoate (CHEBI:64813)
3,5-dimethylbenzoate (CHEBI:64822) is conjugate base of 3,5-dimethylbenzoic acid (CHEBI:64821)
Incoming 3,5-dimethylbenzoic acid (CHEBI:64821) is conjugate acid of 3,5-dimethylbenzoate (CHEBI:64822)
IUPAC Name
3,5-dimethylbenzoate
Synonyms Sources
3,5-dimethylbenzoate anion ChEBI
mesitylenate ChEBI
Registry Number Type Source
3904795 Reaxys Registry Number Reaxys
Last Modified
23 July 2012