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Home > Pyridines > 1555341-12-2
1555341-12-2 | 4-Acetyl-2-(4-tert-pentylphenoxy) pyridine
CAS No: 1555341-12-2 Catalog No: AG01DIV0 MDL No:
Product Description
Catalog Number:
AG01DIV0
Chemical Name:
4-Acetyl-2-(4-tert-pentylphenoxy) pyridine
CAS Number:
1555341-12-2
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
1-[2-[4-(2-methylbutan-2-yl)phenoxy]pyridin-4-yl]ethanone
InChI:
InChI=1S/C18H21NO2/c1-5-18(3,4)15-6-8-16(9-7-15)21-17-12-14(13(2)20)10-11-19-17/h6-12H,5H2,1-4H3
InChI Key:
ZJBJMCAWHCAKQN-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)Oc1nccc(c1)C(=O)C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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