118-41-2 | 3,4,5-Trimethoxybenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$15.00	$10.00
5g	98%	in stock	$16.00	$11.00
100g	98%	in stock	$22.00	$15.00
500g	98%	in stock	$53.00	$37.00
1000g	98%	in stock	$100.00	$70.00

Description

• Catalog Number: AB74402
• Chemical Name: 3,4,5-Trimethoxybenzoic acid
• CAS Number: 118-41-2
• Molecular Formula: C10H12O5
• Molecular Weight: 212.1993
• MDL Number: MFCD00002501
• SMILES: COc1cc(cc(c1OC)OC)C(=O)O
• NSC Number: 2525

Computed Properties

• Complexity: 204
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• XLogP3: 1.4

Upstream Synthesis Route

3,4,5-Trimethoxybenzoic acid, a versatile compound in chemical synthesis, serves as a key building block in various organic reactions. Its functional groups allow for selective modifications, making it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials. In organic chemistry, 3,4,5-Trimethoxybenzoic acid is commonly employed in the preparation of ethers, esters, and amides through reactions such as nucleophilic substitution and esterification. Furthermore, its use in the construction of complex molecules, such as natural products and biologically active compounds, highlights its significance in modern synthetic chemistry. This compound's structural properties and reactivity make it a fundamental component in the development of novel chemical entities with diverse applications in the field of drug discovery and materials science.

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