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Carboxyibuprofen

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For Research Use Only | Not For Clinical Use
CATAPS15935543A
CAS15935-54-3
Structure
MDL NumberMFCD08063737
SynonymsBenzenepropanoic acid, 4-(1-carboxyethyl)-α-methyl- (9CI), Ibuprofen COOH, Carboxyibuprofen, 2,4'-(2-Carboxypropyl)phenylpropionic acid, 2-[4-(2-Carboxypropyl)phenyl]propionic acid, 4-(2-Carboxypropyl)-α-methylbenzeneacetic acid
IUPAC Name3-[4-(1-carboxyethyl)phenyl]-2-methylpropanoic acid
Molecular Weight236.26
Molecular FormulaC13H16O4
Canonical SMILESCC(Cc1ccc(cc1)C(C)C(=O)O)C(=O)O
InChIInChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)
InChI KeyDIVLBIVDYADZPL-UHFFFAOYSA-N
REAXYS Number5951324
Descriptionanalytical standard
Accurate Mass236.1049
Formneat; gas chromatography (GC): suitable
FormatNeat
Gradeanalytical standard
Product TypeMetabolite
Size10MG
SubcategoryPharmaceutical and veterinary compounds and metabolites
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