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1891-19-6

1891-19-6 | 1,10-Phenanthroline, 1-oxide

CAS No: 1891-19-6 Catalog No: AG002HVL MDL No:

Product Description

Catalog Number:
AG002HVL
Chemical Name:
1,10-Phenanthroline, 1-oxide
CAS Number:
1891-19-6
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
IUPAC Name:
1-oxido-1,10-phenanthrolin-1-ium
InChI:
InChI=1S/C12H8N2O/c15-14-8-2-4-10-6-5-9-3-1-7-13-11(9)12(10)14/h1-8H
InChI Key:
OFEFUDKSXOZQFL-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc2c1c1ncccc1cc2

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Theoretical and experimental spectroscopic approach of fluorinated Ln(3+)-beta-diketonate complexes. The journal of physical chemistry. A 20100805

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