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Home > Pyridines > 1187168-18-8
1187168-18-8 | 3-(4-Ethylbenzoyl)-4-methylpyridine
CAS No: 1187168-18-8 Catalog No: AG01FDS9 MDL No:
Product Description
Catalog Number:
AG01FDS9
Chemical Name:
3-(4-Ethylbenzoyl)-4-methylpyridine
CAS Number:
1187168-18-8
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
(4-ethylphenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C15H15NO/c1-3-12-4-6-13(7-5-12)15(17)14-10-16-9-8-11(14)2/h4-10H,3H2,1-2H3
InChI Key:
VMIBQZCVGAWKIR-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)c1cnccc1C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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