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Home > Pyridines > 1187164-42-6
1187164-42-6 | 2-(4-Butylbenzoyl)-6-methoxypyridine
CAS No: 1187164-42-6 Catalog No: AG01FDCA MDL No:
Product Description
Catalog Number:
AG01FDCA
Chemical Name:
2-(4-Butylbenzoyl)-6-methoxypyridine
CAS Number:
1187164-42-6
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
(4-butylphenyl)-(6-methoxypyridin-2-yl)methanone
InChI:
InChI=1S/C17H19NO2/c1-3-4-6-13-9-11-14(12-10-13)17(19)15-7-5-8-16(18-15)20-2/h5,7-12H,3-4,6H2,1-2H3
InChI Key:
YVMNMUQDDFLAQV-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)c1cccc(n1)OC
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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