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Product Overview

Product Code

TRC-H943200

CAS Number

53949-54-5

Product Format

Neat

Molecular Formula

C13 H18 O3

Molecular Weight

222.28

Product Categories

TRC, Cyclooxygenase, Pain and Inflammation, Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , API Reference Standards & Research Materials

Product Type

Metabolite, API

Documentation

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Product Information

Chemical Data

Analyte Name

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

CAS Number

53949-54-5

Molecular Formula

C13 H18 O3

Molecular Weight

222.28

Accurate Mass

222.1256

SMILES

CC(CO)Cc1ccc(cc1)C(C)C(=O)O

InChI

InChI=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)

IUPAC

2-[4-(3-hydroxy-2-methylpropyl)phenyl]propanoic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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