Home Nitriles 2-(5-Methylisoxazol-3-yl)acetonitrile

2-(5-Methylisoxazol-3-yl)acetonitrile

CAS No.:
35166-41-7
Catalog Number:
AG00C8GV
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$73
- +
250mg
95%
In Stock USA
United States
$133
- +
1g
95%
In Stock USA
United States
$265
- +
5g
95%
In Stock USA
United States
$794
- +
Product Description
Catalog Number:
AG00C8GV
Chemical Name:
2-(5-Methylisoxazol-3-yl)acetonitrile
CAS Number:
35166-41-7
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD09909633
IUPAC Name:
2-(5-methyl-1,2-oxazol-3-yl)acetonitrile
InChI:
InChI=1S/C6H6N2O/c1-5-4-6(2-3-7)8-9-5/h4H,2H2,1H3
InChI Key:
FMCBKOOPDBRCGZ-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)CC#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:
0.5  
Properties