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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (4-tert-Butyl-phenoxy)-acetic acid
ChEBI ID CHEBI:186680
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H16O3
Net Charge 0
Average Mass 208.257
Monoisotopic Mass 208.10994
InChI InChI=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)
InChIKey FBIGAJNVRFKBJL-UHFFFAOYSA-N
SMILES O(C1=CC=C(C(C)(C)C)C=C1)CC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
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 (4-tert-Butyl-phenoxy)-acetic acid (CHEBI:186680) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
2-(4-tert-butylphenoxy)acetic acid
Manual Xref Database
14947 ChemSpider
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Registry Number Type Source
1798-04-5 CAS Registry Number ChemIDplus