Home Carboxys 6-Cyano-2-pyridine carboxylic acid methyl ester

6-Cyano-2-pyridine carboxylic acid methyl ester

CAS No.:
98436-83-0
Catalog Number:
AG00IK38
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
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Product Description
Catalog Number:
AG00IK38
Chemical Name:
6-Cyano-2-pyridine carboxylic acid methyl ester
CAS Number:
98436-83-0
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD07367924
IUPAC Name:
methyl 6-cyanopyridine-2-carboxylate
InChI:
InChI=1S/C8H6N2O2/c1-12-8(11)7-4-2-3-6(5-9)10-7/h2-4H,1H3
InChI Key:
RWTWEJPTYZWMEY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(n1)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:
1.1  
Properties