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Home > Pyridines > 1187170-40-6
1187170-40-6 | 2-(4-Hexylbenzoyl)-6-methylpyridine
CAS No: 1187170-40-6 Catalog No: AG01FDT2 MDL No:
Product Description
Catalog Number:
AG01FDT2
Chemical Name:
2-(4-Hexylbenzoyl)-6-methylpyridine
CAS Number:
1187170-40-6
Molecular Formula:
C19H23NO
Molecular Weight:
281.3920
IUPAC Name:
(4-hexylphenyl)-(6-methylpyridin-2-yl)methanone
InChI:
InChI=1S/C19H23NO/c1-3-4-5-6-9-16-11-13-17(14-12-16)19(21)18-10-7-8-15(2)20-18/h7-8,10-14H,3-6,9H2,1-2H3
InChI Key:
NDINENVRFKBFGQ-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C(=O)c1cccc(n1)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.399g/mol
Monoisotopic Mass:
281.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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