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Home > Pyridines > 1187165-62-3
1187165-62-3 | 3-Methyl-2-(4-pentylbenzoyl)pyridine
CAS No: 1187165-62-3 Catalog No: AG01FDCW MDL No:
Product Description
Catalog Number:
AG01FDCW
Chemical Name:
3-Methyl-2-(4-pentylbenzoyl)pyridine
CAS Number:
1187165-62-3
Molecular Formula:
C18H21NO
Molecular Weight:
267.3654
IUPAC Name:
(3-methylpyridin-2-yl)-(4-pentylphenyl)methanone
InChI:
InChI=1S/C18H21NO/c1-3-4-5-8-15-9-11-16(12-10-15)18(20)17-14(2)7-6-13-19-17/h6-7,9-13H,3-5,8H2,1-2H3
InChI Key:
KXKQIVOSQOEXLZ-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1ncccc1C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.372g/mol
Monoisotopic Mass:
267.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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