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Home > Pyridines > 100960-56-3
100960-56-3 | 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-
CAS No: 100960-56-3 Catalog No: AG0003BI MDL No:
Product Description
Catalog Number:
AG0003BI
Chemical Name:
3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-
CAS Number:
100960-56-3
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
6-methyl-2-oxo-1H-pyridine-3,4-dicarbonitrile
InChI:
InChI=1S/C8H5N3O/c1-5-2-6(3-9)7(4-10)8(12)11-5/h2H,1H3,(H,11,12)
InChI Key:
KUVHAMHPPKQIJZ-UHFFFAOYSA-N
SMILES:
Cc1cc(C#N)c(c(=O)[nH]1)C#N
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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