2024-83-1 | 3,4-Dimethoxybenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$12.00	$9.00
25g	98%	in stock	$22.00	$16.00

Description

• Catalog Number: AB03761
• Chemical Name: 3,4-Dimethoxybenzonitrile
• CAS Number: 2024-83-1
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.1733
• MDL Number: MFCD00001802
• SMILES: COc1cc(C#N)ccc1OC

Computed Properties

• Complexity: 184
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 1.8

Literature

• FTIR and FT-Raman spectra, molecular geometry, vibrational assignments, first-order hyperpolarizability, ab initio and DFT calculations for 3,4-dimethoxybenzonitrile.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101