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Home > Pyridines > 1187166-99-9
1187166-99-9 | 5-(3,4-Dimethoxybenzoyl)-2-methylpyridine
CAS No: 1187166-99-9 Catalog No: AG01FBHV MDL No:
Product Description
Catalog Number:
AG01FBHV
Chemical Name:
5-(3,4-Dimethoxybenzoyl)-2-methylpyridine
CAS Number:
1187166-99-9
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
(3,4-dimethoxyphenyl)-(6-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C15H15NO3/c1-10-4-5-12(9-16-10)15(17)11-6-7-13(18-2)14(8-11)19-3/h4-9H,1-3H3
InChI Key:
TWDITKHZQWCLHC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)c1ccc(nc1)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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