Home Nitriles 3,5-dimethyl-1,2-oxazole-4-carbonitrile

3,5-dimethyl-1,2-oxazole-4-carbonitrile

CAS No.:
31301-46-9
Catalog Number:
AG00C07J
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$169
- +
1g
95%
In Stock USA
United States
$428
- +
5g
95%
In Stock USA
United States
$1700
- +
Product Description
Catalog Number:
AG00C07J
Chemical Name:
3,5-dimethyl-1,2-oxazole-4-carbonitrile
CAS Number:
31301-46-9
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD02681974
IUPAC Name:
3,5-dimethyl-1,2-oxazole-4-carbonitrile
InChI:
InChI=1S/C6H6N2O/c1-4-6(3-7)5(2)9-8-4/h1-2H3
InChI Key:
NBLIVFMKDQOTHN-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)noc1C
Properties
Complexity:
148  
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:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties