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59576-25-9 | 4-benzoyl-2-methylpyridine
CAS No: 59576-25-9 Catalog No: AG00OYV1 MDL No:MFCD13153272
Product Description
Catalog Number:
AG00OYV1
Chemical Name:
4-benzoyl-2-methylpyridine
CAS Number:
59576-25-9
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD13153272
IUPAC Name:
(2-methylpyridin-4-yl)-phenylmethanone
InChI:
InChI=1S/C13H11NO/c1-10-9-12(7-8-14-10)13(15)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
XTMVNVYVPNLZIG-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)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:
2.6
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