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Home > Pyridines > 159782-44-2
159782-44-2 | Ethanone, 1-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-(4-pyridinyl)-
CAS No: 159782-44-2 Catalog No: AG001RE3 MDL No:
Product Description
Catalog Number:
AG001RE3
Chemical Name:
Ethanone, 1-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-(4-pyridinyl)-
CAS Number:
159782-44-2
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethanone
InChI:
InChI=1S/C19H21NO3/c1-22-18-7-6-15(13-19(18)23-16-4-2-3-5-16)17(21)12-14-8-10-20-11-9-14/h6-11,13,16H,2-5,12H2,1H3
InChI Key:
ZRUOZJROOKNYSS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC1CCCC1)C(=O)Cc1ccncc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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