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Home > Pyridines > 1187168-24-6
1187168-24-6 | 3-(4-Hexylbenzoyl)-4-methylpyridine
CAS No: 1187168-24-6 Catalog No: AG01FDSA MDL No:
Product Description
Catalog Number:
AG01FDSA
Chemical Name:
3-(4-Hexylbenzoyl)-4-methylpyridine
CAS Number:
1187168-24-6
Molecular Formula:
C19H23NO
Molecular Weight:
281.3920
IUPAC Name:
(4-hexylphenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C19H23NO/c1-3-4-5-6-7-16-8-10-17(11-9-16)19(21)18-14-20-13-12-15(18)2/h8-14H,3-7H2,1-2H3
InChI Key:
LRDGLRVZLJJHJG-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C(=O)c1cnccc1C
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:
5.5
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