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Home > Pyridines > 158978-62-2
158978-62-2 | 3-(3-Methylbenzoyl)-4-methylpyridine
CAS No: 158978-62-2 Catalog No: AG01FDMY MDL No:
Product Description
Catalog Number:
AG01FDMY
Chemical Name:
3-(3-Methylbenzoyl)-4-methylpyridine
CAS Number:
158978-62-2
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
(3-methylphenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C14H13NO/c1-10-4-3-5-12(8-10)14(16)13-9-15-7-6-11(13)2/h3-9H,1-2H3
InChI Key:
KJMXXHJCGXQFJQ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)c1cnccc1C
Properties
Complexity:
251
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:
2.9
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