4747-72-2,MFCD02093694
Catalog No.:AA0038N2

4747-72-2 | Isocyanatocyclopropane

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$123.00   $86.00
- +
5g
97%
in stock  
$345.00   $242.00
- +
25g
97%
in stock  
$1,329.00 $930.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0038N2
Chemical Name:
Isocyanatocyclopropane
CAS Number:
4747-72-2
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
MDL Number:
MFCD02093694
SMILES:
O=C=NC1CC1
Properties
Computed Properties
 
Complexity:
89.7  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Literature

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

Journal: The journal of physical chemistry. A 20110324

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

Journal: Organic & biomolecular chemistry 20040907

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SDS
Tags:4747-72-2 Molecular Formula|4747-72-2 MDL|4747-72-2 SMILES|4747-72-2 Isocyanatocyclopropane
Catalog No.: AA0038N2
4747-72-2,MFCD02093694
4747-72-2 | Isocyanatocyclopropane
Pack Size: 1g
Purity: 97%
in stock
$123.00 $86.00
Pack Size: 5g
Purity: 97%
in stock
$345.00 $242.00
Pack Size: 25g
Purity: 97%
in stock
$1,329.00 $930.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0038N2
Chemical Name: Isocyanatocyclopropane
CAS Number: 4747-72-2
Molecular Formula: C4H5NO
Molecular Weight: 83.0886
MDL Number: MFCD02093694
SMILES: O=C=NC1CC1
Properties
Complexity: 89.7  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 6  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Literature fold

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

Journal: The journal of physical chemistry. A20110324

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

Journal: Organic & biomolecular chemistry20040907

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