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Home > Pyridines > 113786-97-3
113786-97-3 | Methanone, 1,3-phenylenebis[2-pyridinyl- (9CI)
CAS No: 113786-97-3 Catalog No: AG0009O5 MDL No:
Product Description
Catalog Number:
AG0009O5
Chemical Name:
Methanone, 1,3-phenylenebis[2-pyridinyl- (9CI)
CAS Number:
113786-97-3
Molecular Formula:
C18H12N2O2
Molecular Weight:
288.3001
IUPAC Name:
[3-(pyridine-2-carbonyl)phenyl]-pyridin-2-ylmethanone
InChI:
InChI=1S/C18H12N2O2/c21-17(15-8-1-3-10-19-15)13-6-5-7-14(12-13)18(22)16-9-2-4-11-20-16/h1-12H
InChI Key:
RXBKKSYRRRJCAX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)c1cccc(c1)C(=O)c1ccccn1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.306g/mol
Monoisotopic Mass:
288.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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