Home Nitriles 3-Isopropylisoxazole-5-carbonitrile

3-Isopropylisoxazole-5-carbonitrile

CAS No.:
1217862-28-6
Catalog Number:
AG009DW1
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG009DW1
Chemical Name:
3-Isopropylisoxazole-5-carbonitrile
CAS Number:
1217862-28-6
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD15146531
IUPAC Name:
3-propan-2-yl-1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C7H8N2O/c1-5(2)7-3-6(4-8)10-9-7/h3,5H,1-2H3
InChI Key:
CFWJELPCJZDRRO-UHFFFAOYSA-N
SMILES:
N#Cc1onc(c1)C(C)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties