2-[4-(2-Hydroxymethylpropyl)phenyl]propanoic acid

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For Research Use Only | Not For Clinical Use
CATAPS53949545
CAS53949-54-5
Structure
SynonymsBenzeneacetic acid, 4-(3-hydroxy-2-methylpropyl)-α-methyl-, 2-[4-(3-Hydroxy-2-methyl-propyl)phenyl]propanoic acid, 2,4'-(2-Hydroxymethylpropyl)phenylpropionic acid, 2-[4-(2-Hydroxymethylpropyl)phenyl]propanoic acid, 4-(3-Hydroxy-2-methylpropyl)-α-methylbenzeneacetic acid, 3-Hydroxyibuprofen
IUPAC Name2-[4-(3-hydroxy-2-methyl-propyl)phenyl]propanoic acid
Molecular Weight222.28
Molecular FormulaC13H18O3
Canonical SMILESCC(CO)Cc1ccc(cc1)C(C)C(=O)O
InChIInChI=1S/C13H18O3/c1-9(8-14)7-11-3-5-12(6-4-11)10(2)13(15)16/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)
Accurate Mass222.1256
FormatNeat
Product TypeMetabolite
SubcategoryPharmaceutical and veterinary compounds and metabolites
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