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Methyl 3-cyanoisonicotinate

CAS No.:
36106-47-5
Catalog Number:
AG007BE1
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
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Product Description
Catalog Number:
AG007BE1
Chemical Name:
Methyl 3-cyanoisonicotinate
CAS Number:
36106-47-5
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00128866
IUPAC Name:
methyl 3-cyanopyridine-4-carboxylate
InChI:
InChI=1S/C8H6N2O2/c1-12-8(11)7-2-3-10-5-6(7)4-9/h2-3,5H,1H3
InChI Key:
SHIFALBCZSVPPN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccncc1C#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