Home Carboxys 5-Cyano-3-pyridinecarboxylic acid methyl ester

5-Cyano-3-pyridinecarboxylic acid methyl ester

CAS No.:
106726-82-3
Catalog Number:
AG003RXP
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95%
In Stock USA
United States
$182
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Product Description
Catalog Number:
AG003RXP
Chemical Name:
5-Cyano-3-pyridinecarboxylic acid methyl ester
CAS Number:
106726-82-3
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD07367902
IUPAC Name:
methyl 5-cyanopyridine-3-carboxylate
InChI:
InChI=1S/C8H6N2O2/c1-12-8(11)7-2-6(3-9)4-10-5-7/h2,4-5H,1H3
InChI Key:
RLUVYUFWNPLVPL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cnc1)C#N
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties