1877-72-1 | 3-Cyanobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$15.00	$10.00
10g	95%	in stock	$18.00	$12.00
25g	95%	in stock	$27.00	$19.00
100g	95%	in stock	$46.00	$32.00
500g	95%	in stock	$206.00	$145.00

Description

• Catalog Number: AB64829
• Chemical Name: 3-Cyanobenzoic acid
• CAS Number: 1877-72-1
• Molecular Formula: C8H5NO2
• Molecular Weight: 147.1308
• MDL Number: MFCD00002486
• SMILES: N#Cc1cccc(c1)C(=O)O

Computed Properties

• Complexity: 203
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.5

Literature

• Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies.

  Inorganic chemistry 20090420

• 3-(1H-Tetra-zol-5-yl)benzoic acid.

  Acta crystallographica. Section E, Structure reports online 20090101

• A three-dimensional coordination polymer featuring effective ferrimagnetic hydroxide-bridged manganese(II) chains.

  Inorganic chemistry 20050627

• Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.

  Journal of medicinal chemistry 19971205