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25308-72-9 | Quinoline, 3-phenyl-,1-oxide
CAS No: 25308-72-9 Catalog No: AG007NQK MDL No:
Product Description
Catalog Number:
AG007NQK
Chemical Name:
Quinoline, 3-phenyl-,1-oxide
CAS Number:
25308-72-9
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
1-oxido-3-phenylquinolin-1-ium
InChI:
InChI=1S/C15H11NO/c17-16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)16/h1-11H
InChI Key:
AMSNCSCROOHIEF-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc(cc2c1cccc2)c1ccccc1
NSC Number:
109448
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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