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Home > Pyridines > 1187164-25-5
1187164-25-5 | 2-(4-tert-Butylbenzoyl)-6-methoxypyridine
CAS No: 1187164-25-5 Catalog No: AG01FBHB MDL No:
Product Description
Catalog Number:
AG01FBHB
Chemical Name:
2-(4-tert-Butylbenzoyl)-6-methoxypyridine
CAS Number:
1187164-25-5
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
(4-tert-butylphenyl)-(6-methoxypyridin-2-yl)methanone
InChI:
InChI=1S/C17H19NO2/c1-17(2,3)13-10-8-12(9-11-13)16(19)14-6-5-7-15(18-14)20-4/h5-11H,1-4H3
InChI Key:
OVKNIURJUQNPQV-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)C(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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