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Home > Pyridines > 1187165-54-3
1187165-54-3 | 2-(4-Isopropoxybenzoyl)-3-methylpyridine
CAS No: 1187165-54-3 Catalog No: AG01FBTK MDL No:
Product Description
Catalog Number:
AG01FBTK
Chemical Name:
2-(4-Isopropoxybenzoyl)-3-methylpyridine
CAS Number:
1187165-54-3
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
(3-methylpyridin-2-yl)-(4-propan-2-yloxyphenyl)methanone
InChI:
InChI=1S/C16H17NO2/c1-11(2)19-14-8-6-13(7-9-14)16(18)15-12(3)5-4-10-17-15/h4-11H,1-3H3
InChI Key:
YFVGCSNBQVWOCA-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)C(=O)c1ncccc1C)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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