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99971-15-0 | 4,7-Phenanthroline-5,6-dione, dioxime
CAS No: 99971-15-0 Catalog No: AG003VTX MDL No:
Product Description
Catalog Number:
AG003VTX
Chemical Name:
4,7-Phenanthroline-5,6-dione, dioxime
CAS Number:
99971-15-0
Molecular Formula:
C12H8N4O2
Molecular Weight:
240.2175
IUPAC Name:
N-(6-nitroso-4,7-phenanthrolin-5-yl)hydroxylamine
InChI:
InChI=1S/C12H8N4O2/c17-15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16-18/h1-6,15,17H
InChI Key:
DFPXHPPILPTGKQ-UHFFFAOYSA-N
SMILES:
ON=C1C(=NO)c2ncccc2c2c1nccc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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