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Home > Pyridines > 1187169-28-3
1187169-28-3 | 5-(4-tert-Butylbenzoyl)-2-methylpyridine
CAS No: 1187169-28-3 Catalog No: AG01FBVH MDL No:
Product Description
Catalog Number:
AG01FBVH
Chemical Name:
5-(4-tert-Butylbenzoyl)-2-methylpyridine
CAS Number:
1187169-28-3
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
(4-tert-butylphenyl)-(6-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C17H19NO/c1-12-5-6-14(11-18-12)16(19)13-7-9-15(10-8-13)17(2,3)4/h5-11H,1-4H3
InChI Key:
FDJIOZMNZXXINQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cn1)C(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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