37718-11-9 | 1H-Pyrazole-4-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$15.00	$10.00
10g	95%	in stock	$20.00	$14.00
50g	95%	in stock	$78.00	$55.00
100g	95%	in stock	$138.00	$96.00
500g	95%	in stock	$685.00	$479.00

Description

• Catalog Number: AB45135
• Chemical Name: 1H-Pyrazole-4-carboxylic acid
• CAS Number: 37718-11-9
• Molecular Formula: C4H4N2O2
• Molecular Weight: 112.0868
• MDL Number: MFCD00011558
• SMILES: OC(=O)c1c[nH]nc1

Computed Properties

• Complexity: 104
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: -0.3

Literature

• Kinetics and metabolism of fomepizole in healthy humans.

  Clinical toxicology (Philadelphia, Pa.) 20120601

• A solid-state NMR, X-ray diffraction, and ab initio computational study of hydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains.

  Journal of the American Chemical Society 20010815