Home Nitriles 3,5-DiMethoxypicolinonitrile

3,5-DiMethoxypicolinonitrile

CAS No.:
36057-45-1
Catalog Number:
AG00CN33
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
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Product Description
Catalog Number:
AG00CN33
Chemical Name:
3,5-DiMethoxypicolinonitrile
CAS Number:
36057-45-1
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD18255817
IUPAC Name:
3,5-dimethoxypyridine-2-carbonitrile
InChI:
InChI=1S/C8H8N2O2/c1-11-6-3-8(12-2)7(4-9)10-5-6/h3,5H,1-2H3
InChI Key:
LJXBVWYMXUENCW-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cnc1C#N
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties