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Home > Pyridines > 124612-37-9
124612-37-9 | 3,5-Pyridinedicarbonitrile, 1,2-dihydro-2-oxo-6-phenyl-
CAS No: 124612-37-9 Catalog No: AG000MHM MDL No:
Product Description
Catalog Number:
AG000MHM
Chemical Name:
3,5-Pyridinedicarbonitrile, 1,2-dihydro-2-oxo-6-phenyl-
CAS Number:
124612-37-9
Molecular Formula:
C13H7N3O
Molecular Weight:
221.2142
IUPAC Name:
2-oxo-6-phenyl-1H-pyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C13H7N3O/c14-7-10-6-11(8-15)13(17)16-12(10)9-4-2-1-3-5-9/h1-6H,(H,16,17)
InChI Key:
MMGGCMXNKYLWPU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)c(=O)[nH]c1c1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.219g/mol
Monoisotopic Mass:
221.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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