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Home > Pyridines > 1187165-21-4
1187165-21-4 | 2-Methyl-4-(4-pentyloxybenzoyl)pyridine
CAS No: 1187165-21-4 Catalog No: AG01FC70 MDL No:
Product Description
Catalog Number:
AG01FC70
Chemical Name:
2-Methyl-4-(4-pentyloxybenzoyl)pyridine
CAS Number:
1187165-21-4
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
(2-methylpyridin-4-yl)-(4-pentoxyphenyl)methanone
InChI:
InChI=1S/C18H21NO2/c1-3-4-5-12-21-17-8-6-15(7-9-17)18(20)16-10-11-19-14(2)13-16/h6-11,13H,3-5,12H2,1-2H3
InChI Key:
HWQJWEHIHKGCPJ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C(=O)c1ccnc(c1)C
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:
4.4
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