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Home Other Building Blocks Isocyanatocyclopropane

Isocyanatocyclopropane

CAS No.:
4747-72-2
Catalog Number:
AG0038PU
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$88
- +
5g
97%
In Stock USA
United States
$263
- +
25g
97%
In Stock USA
United States
$1038
- +
Product Description
Catalog Number:
AG0038PU
Chemical Name:
Isocyanatocyclopropane
CAS Number:
4747-72-2
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
MDL Number:
MFCD02093694
IUPAC Name:
isocyanatocyclopropane
InChI:
InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H2
InChI Key:
DBBRJAWSDTYYBM-UHFFFAOYSA-N
SMILES:
O=C=NC1CC1
Properties
Complexity:
89.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
83.037g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
83.09g/mol
Monoisotopic Mass:
83.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
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
Properties