Home Nitriles 3-Methylisoxazole-5-carbonitrile

3-Methylisoxazole-5-carbonitrile

CAS No.:
65735-07-1
Catalog Number:
AG00FD1I
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00FD1I
Chemical Name:
3-Methylisoxazole-5-carbonitrile
CAS Number:
65735-07-1
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD14702909
IUPAC Name:
3-methyl-1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C5H4N2O/c1-4-2-5(3-6)8-7-4/h2H,1H3
InChI Key:
CWGHXEQLWFSUBS-UHFFFAOYSA-N
SMILES:
Cc1cc(on1)C#N
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.032g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.1g/mol
Monoisotopic Mass:
108.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties