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Home > Pyridines > 1187167-21-0
1187167-21-0 | 3-Methyl-2-(4-pentyloxybenzoyl)pyridine
CAS No: 1187167-21-0 Catalog No: AG01FC7B MDL No:
Product Description
Catalog Number:
AG01FC7B
Chemical Name:
3-Methyl-2-(4-pentyloxybenzoyl)pyridine
CAS Number:
1187167-21-0
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
(3-methylpyridin-2-yl)-(4-pentoxyphenyl)methanone
InChI:
InChI=1S/C18H21NO2/c1-3-4-5-13-21-16-10-8-15(9-11-16)18(20)17-14(2)7-6-12-19-17/h6-12H,3-5,13H2,1-2H3
InChI Key:
SUGQEQGDFGBADJ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C(=O)c1ncccc1C
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:
4.7
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