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Home > Pyridines > 1187171-25-0
1187171-25-0 | 4-(4-Isopropylbenzoyl)-2-methylpyridine
CAS No: 1187171-25-0 Catalog No: AG01FC7W MDL No:
Product Description
Catalog Number:
AG01FC7W
Chemical Name:
4-(4-Isopropylbenzoyl)-2-methylpyridine
CAS Number:
1187171-25-0
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
(2-methylpyridin-4-yl)-(4-propan-2-ylphenyl)methanone
InChI:
InChI=1S/C16H17NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-8-9-17-12(3)10-15/h4-11H,1-3H3
InChI Key:
MRBNHGLEWNFEBA-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)C(=O)c1ccc(cc1)C(C)C
Properties
Complexity:
279
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:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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