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

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

CAS No.:
1227465-75-9
Catalog Number:
AG009DU9
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
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Product Description
Catalog Number:
AG009DU9
Chemical Name:
2-(3-Ethylisoxazol-5-yl)acetonitrile
CAS Number:
1227465-75-9
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD16556156
IUPAC Name:
2-(3-ethyl-1,2-oxazol-5-yl)acetonitrile
InChI:
InChI=1S/C7H8N2O/c1-2-6-5-7(3-4-8)10-9-6/h5H,2-3H2,1H3
InChI Key:
HXMJXSKSYWWOFP-UHFFFAOYSA-N
SMILES:
CCc1cc(on1)CC#N
Properties
Complexity:
149  
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:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties