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Product Overview

Product Code

TRC-I780002

CAS Number

1246817-04-8

Product Format

Neat

Molecular Formula

C9H7D3O3

Molecular Weight

169.19

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Bioactive small molecule, Stable Isotope Labelled, API

Unlabelled CAS Number

6100-74-9

Product Information

Chemical Data

Analyte Name

Isoacetovanillone-d3

CAS Number

1246817-04-8

Molecular Formula

C9H7D3O3

Molecular Weight

169.19

Accurate Mass

169.0818

SMILES

[2H]C([2H])([2H])Oc1ccc(cc1O)C(=O)C

InChI

InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3/i2D3

IUPAC

1-[3-hydroxy-4-(trideuteriomethoxy)phenyl]ethanone

Unlabelled CAS Number

6100-74-9

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Volatile compound isolated from oak wood. Also a byproduct in the production of Acetovanillone.

References: Smith, C., et al.: Toxicol. Sci., 69, 265 (2002), Sun, L., et al.: Anticancer Res., 24, 179 (2004),
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