4747-72-2 | Isocyanatocyclopropane

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$121.00	$85.00
5g	97%	in stock	$339.00	$237.00
25g	97%	in stock	$1,302.00	$911.00

Description

• Catalog Number: AB51066
• Chemical Name: Isocyanatocyclopropane
• CAS Number: 4747-72-2
• Molecular Formula: C4H5NO
• Molecular Weight: 83.0886
• MDL Number: MFCD02093694
• SMILES: O=C=NC1CC1

Computed Properties

• Complexity: 89.7
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 6
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Undefined Atom Stereocenter Count: 1
• XLogP3: 1.5

Literature

• Conformational stability from variable temperature infrared spectra of xenon solutions, r0 structural parameters, and ab initio calculations of cyclopropylisocyanate.

  The journal of physical chemistry. A 20110324

• An exploratory study of ring closures of aryl radicals onto cyclopropyl- and oxiranyl-isocyanate acceptors.

  Organic & biomolecular chemistry 20040907