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Home > Pyridines > 1187171-48-7
1187171-48-7 | 3-(4-Hexyloxybenzoyl)pyridine
CAS No: 1187171-48-7 Catalog No: AG01FF58 MDL No:
Product Description
Catalog Number:
AG01FF58
Chemical Name:
3-(4-Hexyloxybenzoyl)pyridine
CAS Number:
1187171-48-7
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
(4-hexoxyphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C18H21NO2/c1-2-3-4-5-13-21-17-10-8-15(9-11-17)18(20)16-7-6-12-19-14-16/h6-12,14H,2-5,13H2,1H3
InChI Key:
DRRHRYYAIJPYMC-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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