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Home > Pyridines > 1187171-81-8
1187171-81-8 | 5-(4-Butylbenzoyl)-2-methylpyridine
CAS No: 1187171-81-8 Catalog No: AG01FDTL MDL No:
Product Description
Catalog Number:
AG01FDTL
Chemical Name:
5-(4-Butylbenzoyl)-2-methylpyridine
CAS Number:
1187171-81-8
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
(4-butylphenyl)-(6-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C17H19NO/c1-3-4-5-14-7-10-15(11-8-14)17(19)16-9-6-13(2)18-12-16/h6-12H,3-5H2,1-2H3
InChI Key:
PSOPVBLYBMZXED-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)c1ccc(nc1)C
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:
4.5
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