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Home > Pyridines > 1187165-16-7
1187165-16-7 | 4-Methyl-2-(4-pentylbenzoyl)pyridine
CAS No: 1187165-16-7 Catalog No: AG01FDCQ MDL No:
Product Description
Catalog Number:
AG01FDCQ
Chemical Name:
4-Methyl-2-(4-pentylbenzoyl)pyridine
CAS Number:
1187165-16-7
Molecular Formula:
C18H21NO
Molecular Weight:
267.3654
IUPAC Name:
(4-methylpyridin-2-yl)-(4-pentylphenyl)methanone
InChI:
InChI=1S/C18H21NO/c1-3-4-5-6-15-7-9-16(10-8-15)18(20)17-13-14(2)11-12-19-17/h7-13H,3-6H2,1-2H3
InChI Key:
FSAASCSVHHPYSH-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1nccc(c1)C
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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