Home Nitriles 3-Ethylisoxazole-5-carbonitrile

3-Ethylisoxazole-5-carbonitrile

CAS No.:
1215295-98-9
Catalog Number:
AG009DXF
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG009DXF
Chemical Name:
3-Ethylisoxazole-5-carbonitrile
CAS Number:
1215295-98-9
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD14702888
IUPAC Name:
3-ethyl-1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C6H6N2O/c1-2-5-3-6(4-7)9-8-5/h3H,2H2,1H3
InChI Key:
JDLXCIXVOCNMRJ-UHFFFAOYSA-N
SMILES:
CCc1noc(c1)C#N
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties