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Home > Pyridines > 1261269-80-0
1261269-80-0 | 4-Pyridinecarbonitrile, 2,6-dimethoxy-
CAS No: 1261269-80-0 Catalog No: AG000RPT MDL No:
Product Description
Catalog Number:
AG000RPT
Chemical Name:
4-Pyridinecarbonitrile, 2,6-dimethoxy-
CAS Number:
1261269-80-0
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
2,6-dimethoxypyridine-4-carbonitrile
InChI:
InChI=1S/C8H8N2O2/c1-11-7-3-6(5-9)4-8(10-7)12-2/h3-4H,1-2H3
InChI Key:
WNCHTAZOQSBFOF-UHFFFAOYSA-N
SMILES:
COc1nc(OC)cc(c1)C#N
Properties
Complexity:
175
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:
1.2
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