3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-1-methyl-2-oxo-


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-1-methyl-2-oxo-
CAS Number: 524-40-3
Product Number: AG00DDW5(AGN-PC-0JK9N4)
Synonyms:
MDL No:
Molecular Formula: C8H8N2O2
Molecular Weight: 164.16132

Identification/Properties


Computed Properties
Molecular Weight:
164.164g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
164.059g/mol
Monoisotopic Mass:
164.059g/mol
Topological Polar Surface Area:
53.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
319
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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