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Home > Pyridines > 1187167-80-1
1187167-80-1 | 5-(4-Hexyloxybenzoyl)-2-methylpyridine
CAS No: 1187167-80-1 Catalog No: AG01FCJR MDL No:
Product Description
Catalog Number:
AG01FCJR
Chemical Name:
5-(4-Hexyloxybenzoyl)-2-methylpyridine
CAS Number:
1187167-80-1
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
IUPAC Name:
(4-hexoxyphenyl)-(6-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C19H23NO2/c1-3-4-5-6-13-22-18-11-9-16(10-12-18)19(21)17-8-7-15(2)20-14-17/h7-12,14H,3-6,13H2,1-2H3
InChI Key:
KEDGOQFASCMYDW-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C(=O)c1ccc(nc1)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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