93-17-4 | (3,4-Dimethoxyphenyl)acetonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$15.00	$10.00
5g	97%	in stock	$16.00	$11.00
25g	97%	in stock	$22.00	$15.00
100g	97%	in stock	$45.00	$31.00
500g	97%	in stock	$162.00	$113.00

Description

• Catalog Number: AB63757
• Chemical Name: (3,4-Dimethoxyphenyl)acetonitrile
• CAS Number: 93-17-4
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.19984000000002
• MDL Number: MFCD00001911
• SMILES: N#CCc1ccc(c(c1)OC)OC
• NSC Number: 6324

Computed Properties

• Complexity: 196
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• XLogP3: 1.2

Literature

• Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111101

• Biocatalytic synthesis of (R)-(-)-mandelic acid from racemic mandelonitrile by cetyltrimethylammonium bromide-permeabilized cells of Alcaligenes faecalis ECU0401.

  Journal of industrial microbiology & biotechnology 20100701

• (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