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1553935-56-0 | 5-Acetyl-2-(4-methylphenoxy) pyridine
CAS No: 1553935-56-0 Catalog No: AG01DKCP MDL No:
Product Description
Catalog Number:
AG01DKCP
Chemical Name:
5-Acetyl-2-(4-methylphenoxy) pyridine
CAS Number:
1553935-56-0
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
1-[6-(4-methylphenoxy)pyridin-3-yl]ethanone
InChI:
InChI=1S/C14H13NO2/c1-10-3-6-13(7-4-10)17-14-8-5-12(9-15-14)11(2)16/h3-9H,1-2H3
InChI Key:
KOJPHSCAHHCJOL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Oc1ccc(cn1)C(=O)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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