3839-22-3 | 2-Cyanobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$11.00	$8.00
5g	98%	in stock	$39.00	$28.00
10g	98%	in stock	$70.00	$49.00

Description

• Catalog Number: AB44015
• Chemical Name: 2-Cyanobenzoic acid
• CAS Number: 3839-22-3
• Molecular Formula: C8H5NO2
• Molecular Weight: 147.1308
• MDL Number: MFCD00045796
• SMILES: N#Cc1ccccc1C(=O)O
• NSC Number: 193443

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: 1.2

Literature

• New single-molecule magnet based on Mn12 oxocarboxylate clusters with mixed carboxylate ligands, [Mn12O12(CN-o-C6H4CO2)12(CH3CO2)4(H2O)4]·8CH2Cl2: Synthesis, crystal and electronic structure, magnetic properties.

  Dalton transactions (Cambridge, England : 2003) 20121128

• D-π-A dye system containing cyano-benzoic acid as anchoring group for dye-sensitized solar cells.

  Langmuir : the ACS journal of surfaces and colloids 20111206