Home Carbonyls 2-Cyano-5-ethoxycarbonylpyridine

2-Cyano-5-ethoxycarbonylpyridine

CAS No.:
76196-79-7
Catalog Number:
AG008O9W
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$160
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Product Description
Catalog Number:
AG008O9W
Chemical Name:
2-Cyano-5-ethoxycarbonylpyridine
CAS Number:
76196-79-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD06637534
IUPAC Name:
ethyl 6-cyanopyridine-3-carboxylate
InChI:
InChI=1S/C9H8N2O2/c1-2-13-9(12)7-3-4-8(5-10)11-6-7/h3-4,6H,2H2,1H3
InChI Key:
OAUYNMCBOPUJCL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)C#N
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties