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Home > Pyridines > 1187166-78-4
1187166-78-4 | 2-(4-Isopropoxybenzoyl)-5-methylpyridine
CAS No: 1187166-78-4 Catalog No: AG01FBU8 MDL No:
Product Description
Catalog Number:
AG01FBU8
Chemical Name:
2-(4-Isopropoxybenzoyl)-5-methylpyridine
CAS Number:
1187166-78-4
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
(5-methylpyridin-2-yl)-(4-propan-2-yloxyphenyl)methanone
InChI:
InChI=1S/C16H17NO2/c1-11(2)19-14-7-5-13(6-8-14)16(18)15-9-4-12(3)10-17-15/h4-11H,1-3H3
InChI Key:
XBCUSDAZDFZRPP-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)C(=O)c1ccc(cn1)C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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