CHEBI:132922 - ibuprofen(1−)

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ChEBI Name ibuprofen(1−) ChEBI ID CHEBI:132922 ChEBI ASCII Name ibuprofen(1-) Definition A monocarboxylic acid anion that is the conjugate base of ibuprofen, obtained by deprotonation of the carboxy group; major species at pH 7.3. 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 C13H17O2 Net Charge -1 Average Mass 205.273 Monoisotopic Mass 205.12340 InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/p-1 InChIKey HEFNNWSXXWATRW-UHFFFAOYSA-M SMILES C=1C=C(C=CC1C(C(=O)[O-])C)CC(C)C ChEBI Ontology Outgoing ibuprofen(1−) (CHEBI:132922) is a monocarboxylic acid anion (CHEBI:35757) ibuprofen(1−) (CHEBI:132922) is conjugate base of ibuprofen (CHEBI:5855) Incoming ibuprofen (CHEBI:5855) is conjugate acid of ibuprofen(1−) (CHEBI:132922) IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoate Synonyms Sources ibuprofen ChEBI ibuprofen anion ChEBI Registry Number Type Source 4784081 Reaxys Registry Number Reaxys Last Modified 04 August 2016