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Home > Pyridines > 1187170-42-8
1187170-42-8 | 2-(4-Heptylbenzoyl)-6-methylpyridine
CAS No: 1187170-42-8 Catalog No: AG01FDEH MDL No:
Product Description
Catalog Number:
AG01FDEH
Chemical Name:
2-(4-Heptylbenzoyl)-6-methylpyridine
CAS Number:
1187170-42-8
Molecular Formula:
C20H25NO
Molecular Weight:
295.4186
IUPAC Name:
(4-heptylphenyl)-(6-methylpyridin-2-yl)methanone
InChI:
InChI=1S/C20H25NO/c1-3-4-5-6-7-10-17-12-14-18(15-13-17)20(22)19-11-8-9-16(2)21-19/h8-9,11-15H,3-7,10H2,1-2H3
InChI Key:
DHWCIHDWVFVVOR-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)C(=O)c1cccc(n1)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.194g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.426g/mol
Monoisotopic Mass:
295.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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