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1131-61-9 | 4-Phenylpyridine-N-oxide
CAS No: 1131-61-9 Catalog No: AG003LZJ MDL No:MFCD00006208
Product Description
Catalog Number:
AG003LZJ
Chemical Name:
4-Phenylpyridine-N-oxide
CAS Number:
1131-61-9
MDL Number:
MFCD00006208
IUPAC Name:
1-oxido-4-phenylpyridin-1-ium
InChI:
InChI=1S/C11H9NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChI Key:
VZOPVKZLLGMDDG-UHFFFAOYSA-N
EC Number:
214-467-5
UNII:
96ZG43F5TE
NSC Number:
187559
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk). | Journal of medicinal chemistry 20050505 |
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