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Home > Pyridines > 1187167-67-4
1187167-67-4 | 3-(4-Butylbenzoyl)-4-methylpyridine
CAS No: 1187167-67-4 Catalog No: AG01FDS3 MDL No:
Product Description
Catalog Number:
AG01FDS3
Chemical Name:
3-(4-Butylbenzoyl)-4-methylpyridine
CAS Number:
1187167-67-4
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
(4-butylphenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C17H19NO/c1-3-4-5-14-6-8-15(9-7-14)17(19)16-12-18-11-10-13(16)2/h6-12H,3-5H2,1-2H3
InChI Key:
JQKARZNZXWNOHW-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)c1cnccc1C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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