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Home > Pyridines > 1187168-12-2
1187168-12-2 | 3-(4-Isopropylbenzoyl)-4-methylpyridine
CAS No: 1187168-12-2 Catalog No: AG01FC7F MDL No:
Product Description
Catalog Number:
AG01FC7F
Chemical Name:
3-(4-Isopropylbenzoyl)-4-methylpyridine
CAS Number:
1187168-12-2
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
(4-methylpyridin-3-yl)-(4-propan-2-ylphenyl)methanone
InChI:
InChI=1S/C16H17NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-10-17-9-8-12(15)3/h4-11H,1-3H3
InChI Key:
XQYNLWPKVIYDEJ-UHFFFAOYSA-N
SMILES:
Cc1ccncc1C(=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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