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72799-24-7

72799-24-7 | 1,10-Phenanthroline, 1,10-dioxide

CAS No: 72799-24-7 Catalog No: AG005EMB MDL No:

Product Description

Catalog Number:
AG005EMB
Chemical Name:
1,10-Phenanthroline, 1,10-dioxide
CAS Number:
72799-24-7
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
IUPAC Name:
10-oxido-1,10-phenanthrolin-1-ium 1-oxide
InChI:
InChI=1S/C12H8N2O2/c15-13-7-1-3-9-5-6-10-4-2-8-14(16)12(10)11(9)13/h1-8H
InChI Key:
PWLFRYTYPPCAHX-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc2c1c1c(cc2)ccc[n+]1[O-]

Properties

Complexity:
512  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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