117738-82-6 | 3-Cyano-4-methoxybenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$17.00	$12.00
250mg	95%	in stock	$21.00	$15.00
1g	95%	in stock	$79.00	$55.00
5g	95%	in stock	$315.00	$220.00
25g	95%	in stock	$1,255.00	$879.00
100g	95%	in stock	$3,743.00	$2,620.00

Description

• Catalog Number: AA22803
• Chemical Name: 3-Cyano-4-methoxybenzoic acid
• CAS Number: 117738-82-6
• Molecular Formula: C9H7NO3
• Molecular Weight: 177.1568
• MDL Number: MFCD09271826
• SMILES: N#Cc1cc(ccc1OC)C(=O)O

Computed Properties

• Complexity: 243
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.4

Upstream Synthesis Route

3-Cyano-4-methoxybenzoic acid, also known as CMBA, is a versatile compound widely used in chemical synthesis. Its unique chemical properties make it an essential building block in the production of various pharmaceuticals, agrochemicals, and fine chemicals. In chemical synthesis, CMBA serves as a valuable intermediate in the creation of complex organic molecules, as its cyano and methoxy functional groups can be selectively modified to introduce desired structural changes. Additionally, the presence of the benzene ring in CMBA provides a stable and rigid framework for further functionalization, enabling the synthesis of a diverse range of organic compounds with specific properties and applications. In summary, 3-Cyano-4-methoxybenzoic acid plays a crucial role in chemical synthesis by facilitating the construction of intricate molecular structures with tailored functionalities and characteristics.