6704-31-0 | 3-Oxetanone

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$6.00	$4.00
5g	95%	in stock	$10.00	$7.00
10g	95%	in stock	$16.00	$11.00
25g	98%	in stock	$28.00	$19.00

Description

• Catalog Number: AB47759
• Chemical Name: 3-Oxetanone
• CAS Number: 6704-31-0
• Molecular Formula: C3H4O2
• Molecular Weight: 72.0627
• MDL Number: MFCD09263255
• SMILES: O=C1COC1

Computed Properties

• Complexity: 51.9
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 5
• Hydrogen Bond Acceptor Count: 2
• Undefined Atom Stereocenter Count: 1
• XLogP3: -0.3

Literature

• Synchrotron-based far-infrared spectroscopic investigation and ab initio calculations of 3-oxetanone: observation and analysis of the ν7 band and the Coriolis coupled ν16 and ν20 bands.

  The journal of physical chemistry. A 20120927

• Highly functional group compatible Rh-catalyzed addition of arylboroxines to activated N-tert-butanesulfinyl ketimines.

  Organic letters 20110805

• Gold-catalyzed one-step practical synthesis of oxetan-3-ones from readily available propargylic alcohols.

  Journal of the American Chemical Society 20100630

• Oxetanes in drug discovery: structural and synthetic insights.

  Journal of medicinal chemistry 20100422

• Thermochemistry and kinetics of acetonylperoxy radical isomerisation and decomposition: a quantum chemistry and CVT/SCT approach.

  Physical chemistry chemical physics : PCCP 20081221

• NMR studies on epoxidations of allenamides. Evidence for formation of nitrogen-substituted allene oxide and spiro-epoxide via trapping experiments.

  The Journal of organic chemistry 20020222