103261-68-3 | Methyl 5-cyano-2-methylbenzoate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$18.00	$13.00
1g	95%	in stock	$32.00	$22.00
5g	95%	in stock	$47.00	$33.00
10g	95%	in stock	$78.00	$55.00
25g	95%	in stock	$193.00	$136.00

Description

• Catalog Number: AD80714
• Chemical Name: Methyl 5-cyano-2-methylbenzoate
• CAS Number: 103261-68-3
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.184
• MDL Number: MFCD18399111
• SMILES: COC(=O)c1cc(C#N)ccc1C

Computed Properties

• Complexity: 241
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 2.5

Upstream Synthesis Route

Methyl 5-cyano-2-methylbenzoate is a versatile compound commonly used in chemical synthesis for its unique properties. It serves as a key intermediate in the production of various pharmaceuticals, agrochemicals, and fine chemicals. This compound is known for its reactivity in organic reactions, making it an essential building block for creating complex molecular structures. In particular, Methyl 5-cyano-2-methylbenzoate is frequently employed in the synthesis of biologically active compounds due to its ability to introduce specific functional groups and establish crucial chemical bonds. Its role in organic chemistry highlights its significance as a valuable tool for researchers and chemists alike seeking to develop innovative molecules with targeted properties and applications.