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Home > Pyridines > 1187164-79-9
1187164-79-9 | 2-Methyl-5-(4-propylbenzoyl)pyridine
CAS No: 1187164-79-9 Catalog No: AG01FDCF MDL No:
Product Description
Catalog Number:
AG01FDCF
Chemical Name:
2-Methyl-5-(4-propylbenzoyl)pyridine
CAS Number:
1187164-79-9
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
(6-methylpyridin-3-yl)-(4-propylphenyl)methanone
InChI:
InChI=1S/C16H17NO/c1-3-4-13-6-9-14(10-7-13)16(18)15-8-5-12(2)17-11-15/h5-11H,3-4H2,1-2H3
InChI Key:
WBNWYCCSFNMXFR-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C(=O)c1ccc(nc1)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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