Home Nitriles 5-Methyl-4-isoxazolecarbonitrile

5-Methyl-4-isoxazolecarbonitrile

CAS No.:
260555-29-1
Catalog Number:
AG00J2WA
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:
AG00J2WA
Chemical Name:
5-Methyl-4-isoxazolecarbonitrile
CAS Number:
260555-29-1
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD22412351
IUPAC Name:
5-methyl-1,2-oxazole-4-carbonitrile
InChI:
InChI=1S/C5H4N2O/c1-4-5(2-6)3-7-8-4/h3H,1H3
InChI Key:
RJPKYXYLTAIWCT-UHFFFAOYSA-N
SMILES:
Cc1oncc1C#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:
0.5  
Properties