13338-63-1 | 3,4,5-Trimethoxyphenylacetonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$10.00	$7.00
5g	97%	in stock	$29.00	$20.00
10g	95%	in stock	$50.00	$35.00
25g	95%	in stock	$106.00	$75.00
100g	95%	in stock	$330.00	$231.00

Description

• Catalog Number: AA52617
• Chemical Name: 3,4,5-Trimethoxyphenylacetonitrile
• CAS Number: 13338-63-1
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.2258
• MDL Number: MFCD00001912
• SMILES: N#CCc1cc(OC)c(c(c1)OC)OC
• NSC Number: 97556

Computed Properties

• Complexity: 221
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• XLogP3: 1.1

Literature

• (Z)-3-(1H-Indol-3-yl)-2-(3,4,5-tri-methoxy-phen-yl)acrylonitrile.

  Acta crystallographica. Section E, Structure reports online 20120301

• (Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-tri-meth-oxy-phen-yl)acrylonitrile.

  Acta crystallographica. Section E, Structure reports online 20120301

• (Z)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (E)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. [corrected].

  Acta crystallographica. Section C, Crystal structure communications 20071201