52798-01-3 | Methyl (4-cyanophenyl)acetate

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$7.00	$5.00
1g	98%	in stock	$16.00	$12.00
5g	98%	in stock	$44.00	$31.00
10g	98%	in stock	$79.00	$56.00
25g	98%	in stock	$164.00	$115.00

Description

• Catalog Number: AG16768
• Chemical Name: Methyl (4-cyanophenyl)acetate
• CAS Number: 52798-01-3
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.184
• MDL Number: MFCD02181140
• SMILES: COC(=O)Cc1ccc(cc1)C#N

Computed Properties

• Complexity: 220
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• XLogP3: 1.5

Upstream Synthesis Route

Methyl (4-cyanophenyl)acetate is a versatile compound used extensively in chemical synthesis. Due to its unique structural properties, this compound serves as a key intermediate in the production of various pharmaceuticals, agrochemicals, and fine chemicals. It plays a crucial role in the synthesis of important organic molecules by acting as a precursor in multiple synthetic pathways. Additionally, Methyl (4-cyanophenyl)acetate is utilized as a building block for the preparation of complex organic structures, making it an essential component in the development of novel chemical compounds with diverse functionalities. Its wide range of applications in chemical synthesis makes it a valuable reagent in research and industrial settings.