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Home > Pyridines > 127581-43-5
127581-43-5 | 2-Benzoyl-5-methylpyridine
CAS No: 127581-43-5 Catalog No: AG01FFG4 MDL No:
Product Description
Catalog Number:
AG01FFG4
Chemical Name:
2-Benzoyl-5-methylpyridine
CAS Number:
127581-43-5
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
(5-methylpyridin-2-yl)-phenylmethanone
InChI:
InChI=1S/C13H11NO/c1-10-7-8-12(14-9-10)13(15)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
ONRZJTWXEAGJHL-UHFFFAOYSA-N
SMILES:
Cc1ccc(nc1)C(=O)c1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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