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Home > Pyridines > 190579-88-5
190579-88-5 | 3-Pyridinecarbonitrile, 2-ethoxy-6-phenyl-
CAS No: 190579-88-5 Catalog No: AG002EMX MDL No:
Product Description
Catalog Number:
AG002EMX
Chemical Name:
3-Pyridinecarbonitrile, 2-ethoxy-6-phenyl-
CAS Number:
190579-88-5
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
2-ethoxy-6-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C14H12N2O/c1-2-17-14-12(10-15)8-9-13(16-14)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChI Key:
AGZSZMWKOMFIPO-UHFFFAOYSA-N
SMILES:
CCOc1nc(ccc1C#N)c1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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