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Product Overview

Product Code

TRC-C782000

CAS Number

111897-99-5

Product Format

Neat

Molecular Formula

C13 H16 O7

Molecular Weight

284.26

API Family

Cresol

Product Categories

TRC, Phenol and Aromatic Compound Reference Materials , Impurity Reference Materials

Product Type

Impurity, Metabolite

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

o-Cresol Beta-D-Glucuronide

CAS Number

111897-99-5

Molecular Formula

C13 H16 O7

Molecular Weight

284.26

Accurate Mass

284.0896

SMILES

Cc1ccccc1O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O

InChI

InChI=1S/C13H16O7/c1-6-4-2-3-5-7(6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13-/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-methylphenoxy)oxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Cresol

Purity

>95% (HPLC)

Product Description

A metabolite of o-Cresol.

References: Goerge, G., et al.: Xenobiotica, 17, 1293 (1987),

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