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38824-77-0 | 3-Benzoyl-4-methylpyridine
CAS No: 38824-77-0 Catalog No: AG01EVS0 MDL No:
Product Description
Catalog Number:
AG01EVS0
Chemical Name:
3-Benzoyl-4-methylpyridine
CAS Number:
38824-77-0
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
(4-methylpyridin-3-yl)-phenylmethanone
InChI:
InChI=1S/C13H11NO/c1-10-7-8-14-9-12(10)13(15)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
AACDLDHWFSZMSW-UHFFFAOYSA-N
SMILES:
Cc1ccncc1C(=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:
2.6
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