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Home > Pyridines > 1311317-18-6
1311317-18-6 | 2,3-bis(pyridin-4-yl)propanenitrile
CAS No: 1311317-18-6 Catalog No: AG01AHX2 MDL No:MFCD18785618
Product Description
Catalog Number:
AG01AHX2
Chemical Name:
2,3-bis(pyridin-4-yl)propanenitrile
CAS Number:
1311317-18-6
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
MDL Number:
MFCD18785618
IUPAC Name:
2,3-dipyridin-4-ylpropanenitrile
InChI:
InChI=1S/C13H11N3/c14-10-13(12-3-7-16-8-4-12)9-11-1-5-15-6-2-11/h1-8,13H,9H2
InChI Key:
OESHQDCDDFSLDN-UHFFFAOYSA-N
SMILES:
N#CC(c1ccncc1)Cc1ccncc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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