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Home > Pyridines > 1048004-04-1
1048004-04-1 | 1-(2,3'-Bipyridin-5-yl)ethanone
CAS No: 1048004-04-1 Catalog No: AG01EQNW MDL No:
Product Description
Catalog Number:
AG01EQNW
Chemical Name:
1-(2,3'-Bipyridin-5-yl)ethanone
CAS Number:
1048004-04-1
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
1-(6-pyridin-3-ylpyridin-3-yl)ethanone
InChI:
InChI=1S/C12H10N2O/c1-9(15)10-4-5-12(14-8-10)11-3-2-6-13-7-11/h2-8H,1H3
InChI Key:
ZZNWAIHWRAHJQJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(nc1)c1cccnc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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