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Home > Pyridines > 1187168-81-5
1187168-81-5 | 2-(4-Butoxybenzoyl)-6-methylpyridine
CAS No: 1187168-81-5 Catalog No: AG01FDE1 MDL No:
Product Description
Catalog Number:
AG01FDE1
Chemical Name:
2-(4-Butoxybenzoyl)-6-methylpyridine
CAS Number:
1187168-81-5
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
(4-butoxyphenyl)-(6-methylpyridin-2-yl)methanone
InChI:
InChI=1S/C17H19NO2/c1-3-4-12-20-15-10-8-14(9-11-15)17(19)16-7-5-6-13(2)18-16/h5-11H,3-4,12H2,1-2H3
InChI Key:
VFJXMPOHCJOCQK-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)c1cccc(n1)C
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:
4.2
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