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Home > Pyridines > 1187169-21-6
1187169-21-6 | 5-(4-Heptyloxybenzoyl)-2-methylpyridine
CAS No: 1187169-21-6 Catalog No: AG01FC7J MDL No:
Product Description
Catalog Number:
AG01FC7J
Chemical Name:
5-(4-Heptyloxybenzoyl)-2-methylpyridine
CAS Number:
1187169-21-6
Molecular Formula:
C20H25NO2
Molecular Weight:
311.4180
IUPAC Name:
(4-heptoxyphenyl)-(6-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C20H25NO2/c1-3-4-5-6-7-14-23-19-12-10-17(11-13-19)20(22)18-9-8-16(2)21-15-18/h8-13,15H,3-7,14H2,1-2H3
InChI Key:
TWJYZWLBUGTVDP-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)C(=O)c1ccc(nc1)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.425g/mol
Monoisotopic Mass:
311.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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