EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:178230 - 3-Methylsalicylate

ChEBI IDCHEBI:178230
ChEBI Name3-Methylsalicylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H7O3
Net Charge-1
Average Mass151.141
Monoisotopic Mass151.04007
SMILESCc1cccc(C(=O)O)c1[O-]
InChIInChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)/p-1
InChIKeyWHSXTWFYRGOBGO-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Methylsalicylate (CHEBI:178230) is a benzoic acids (CHEBI:22723)
IUPAC Name 
2-carboxy-6-methylphenolate
Manual XrefsDatabases
3926157ChemSpider