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Home > Pyridines > 1187166-34-2
1187166-34-2 | 2-(4-Methylbenzoyl)-5-methylpyridine
CAS No: 1187166-34-2 Catalog No: AG01FDD3 MDL No:
Product Description
Catalog Number:
AG01FDD3
Chemical Name:
2-(4-Methylbenzoyl)-5-methylpyridine
CAS Number:
1187166-34-2
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
(4-methylphenyl)-(5-methylpyridin-2-yl)methanone
InChI:
InChI=1S/C14H13NO/c1-10-3-6-12(7-4-10)14(16)13-8-5-11(2)9-15-13/h3-9H,1-2H3
InChI Key:
MKEDICIWPZWNIN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1ccc(cn1)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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