54698-60-1 | 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$82.00	$58.00
5g	98%	in stock	$323.00	$226.00
10g	98%	in stock	$573.00	$402.00
25g	98%	in stock	$1,132.00	$793.00

Description

• Catalog Number: AG16935
• Chemical Name: 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
• CAS Number: 54698-60-1
• Molecular Formula: C11H11N3O2
• Molecular Weight: 217.2239
• MDL Number: MFCD06411557
• SMILES: OC(=O)c1nnn(c1C)Cc1ccccc1

Computed Properties

• Complexity: 254
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 1.5

Literature

• 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate.

  Acta crystallographica. Section E, Structure reports online 20090601