21169-71-1 | Isoxazole-5-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$14.00	$10.00
5g	98%	in stock	$20.00	$14.00
10g	98%	in stock	$37.00	$26.00
25g	98%	in stock	$78.00	$55.00

Description

• Catalog Number: AB74972
• Chemical Name: Isoxazole-5-carboxylic acid
• CAS Number: 21169-71-1
• Molecular Formula: C4H3NO3
• Molecular Weight: 113.0715
• MDL Number: MFCD00156151
• SMILES: OC(=O)c1ccno1

Computed Properties

• Complexity: 104
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.2

Literature

• rac-Ethyl 6-hy-droxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexa-hydro-benzo[c][1,2]oxazole-5-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20111101