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Home > Pyridines > 1187167-99-2
1187167-99-2 | 6-Methoxy-2-(4-pentylbenzoyl)pyridine
CAS No: 1187167-99-2 Catalog No: AG01FCXE MDL No:
Product Description
Catalog Number:
AG01FCXE
Chemical Name:
6-Methoxy-2-(4-pentylbenzoyl)pyridine
CAS Number:
1187167-99-2
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
(6-methoxypyridin-2-yl)-(4-pentylphenyl)methanone
InChI:
InChI=1S/C18H21NO2/c1-3-4-5-7-14-10-12-15(13-11-14)18(20)16-8-6-9-17(19-16)21-2/h6,8-13H,3-5,7H2,1-2H3
InChI Key:
PYCMZCFUNIXZDS-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1cccc(n1)OC
Properties
Complexity:
310
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:
7
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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