2469-99-0 | 3-Oxobutanenitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$86.00	$60.00
5g	95%	in stock	$122.00	$85.00
10g	95%	in stock	$175.00	$123.00
25g	95%	in stock	$354.00	$248.00

Description

• Catalog Number: AB25592
• Chemical Name: 3-Oxobutanenitrile
• CAS Number: 2469-99-0
• Molecular Formula: C4H5NO
• Molecular Weight: 83.0886
• MDL Number: MFCD05861381
• SMILES: CC(=O)CC#N

Computed Properties

• Complexity: 97.4
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 6
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: -0.2

Literature

• The pyrolysis of isoxazole revisited: a new primary product and the pivotal role of the vinylnitrene. A low-temperature matrix isolation and computational study.

  Journal of the American Chemical Society 20111123

• Synthesis of some novel pyrazolo[3,4-b]pyridine and pyrazolo[3,4-d]pyrimidine derivatives bearing 5,6-diphenyl-1,2,4-triazine moiety as potential antimicrobial agents.

  European journal of medicinal chemistry 20091101

• First synthesis of 3-acetyl-2-aminothiophenes using the Gewald reaction.

  Molecules (Basel, Switzerland) 20060516