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Home > Pyridines > 1187171-77-2
1187171-77-2 | 4-Methyl-3-(4-propoxybenzoyl)pyridine
CAS No: 1187171-77-2 Catalog No: AG01FCY6 MDL No:
Product Description
Catalog Number:
AG01FCY6
Chemical Name:
4-Methyl-3-(4-propoxybenzoyl)pyridine
CAS Number:
1187171-77-2
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
(4-methylpyridin-3-yl)-(4-propoxyphenyl)methanone
InChI:
InChI=1S/C16H17NO2/c1-3-10-19-14-6-4-13(5-7-14)16(18)15-11-17-9-8-12(15)2/h4-9,11H,3,10H2,1-2H3
InChI Key:
NIUKHSISBGOXHH-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(=O)c1cnccc1C
Properties
Complexity:
285
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:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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