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Home > Pyridines > 1369255-45-7
1369255-45-7 | 3-Pyridinecarbonitrile, 5-(2-cyano-4-formylphenoxy)-
CAS No: 1369255-45-7 Catalog No: AG0012K7 MDL No:
Product Description
Catalog Number:
AG0012K7
Chemical Name:
3-Pyridinecarbonitrile, 5-(2-cyano-4-formylphenoxy)-
CAS Number:
1369255-45-7
Molecular Formula:
C14H7N3O2
Molecular Weight:
249.2243
IUPAC Name:
5-(2-cyano-4-formylphenoxy)pyridine-3-carbonitrile
InChI:
InChI=1S/C14H7N3O2/c15-5-11-4-13(8-17-7-11)19-14-2-1-10(9-18)3-12(14)6-16/h1-4,7-9H
InChI Key:
OVRKWGBQKLHFCM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C#N)Oc1cncc(c1)C#N
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.229g/mol
Monoisotopic Mass:
249.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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