Home Nitriles 3-Oxocyclobutanecarbonitrile

3-Oxocyclobutanecarbonitrile

CAS No.:
20249-16-5
Catalog Number:
AG00289O
Molecular Formula:
C5H5NO
Molecular Weight:
95.0993
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$175
- +
10g
95%
In Stock USA
United States
$288
- +
25g
95%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG00289O
Chemical Name:
3-Oxocyclobutanecarbonitrile
CAS Number:
20249-16-5
Molecular Formula:
C5H5NO
Molecular Weight:
95.0993
MDL Number:
MFCD01087798
IUPAC Name:
3-oxocyclobutane-1-carbonitrile
InChI:
InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2
InChI Key:
MSAGLWTVMUDVDT-UHFFFAOYSA-N
SMILES:
N#CC1CC(=O)C1
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.037g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
95.101g/mol
Monoisotopic Mass:
95.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties