486-73-7 | Isoquinoline-1-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$15.00	$10.00
1g	98%	in stock	$16.00	$11.00
5g	98%	in stock	$25.00	$17.00
25g	98%	in stock	$50.00	$35.00
100g	98%	in stock	$162.00	$113.00
500g	98%	in stock	$750.00	$525.00

Description

• Catalog Number: AB74958
• Chemical Name: Isoquinoline-1-carboxylic acid
• CAS Number: 486-73-7
• Molecular Formula: C10H7NO2
• Molecular Weight: 173.16808
• MDL Number: MFCD00006901
• SMILES: OC(=O)c1nccc2c1cccc2
• NSC Number: 218351

Computed Properties

• Complexity: 205
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.1

Literature

• Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

  Journal of medicinal chemistry 20110127

• Tetra-ethyl-ammonium tricarbonyl-chlorido(isoquinoline-1-carboxyl-ato-κN,O)technetate(I).

  Acta crystallographica. Section E, Structure reports online 20080901

• Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate.

  Acta crystallographica. Section C, Crystal structure communications 20021201

• Bis(isoquinoline-1-carboxylato-kappa2O,N)(1,10-phenanthroline-kappa2N,N')zinc(II) dimethylformamide sesquisolvate.

  Acta crystallographica. Section C, Crystal structure communications 20020401

• Chloro(2,9-dimethyl-1,10-phenanthroline-N,N')(isoquinoline-1-carboxylato-O,N)copper(II).

  Acta crystallographica. Section C, Crystal structure communications 20011101