CHEBI:186680 - (4-tert-Butyl-phenoxy)-acetic acid

ChEBI IDCHEBI:186680
ChEBI Name(4-tert-Butyl-phenoxy)-acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESCC(C)(C)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyFBIGAJNVRFKBJL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(4-tert-Butyl-phenoxy)-acetic acid (CHEBI:186680) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-(4-tert-butylphenoxy)acetic acid
Manual XrefsDatabases
14947ChemSpider
Registry NumbersSources
CAS:1798-04-5ChemIDplus