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14208-17-4 | 3,5-Cyclohexadiene-1,2-dione, 1,2-dioxime
CAS No: 14208-17-4 Catalog No: AG001HQA MDL No:
Product Description
Catalog Number:
AG001HQA
Chemical Name:
3,5-Cyclohexadiene-1,2-dione, 1,2-dioxime
CAS Number:
14208-17-4
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
N-(2-nitrosophenyl)hydroxylamine
InChI:
InChI=1S/C6H6N2O2/c9-7-5-3-1-2-4-6(5)8-10/h1-4,7,9H
InChI Key:
GQWVWBLFIXPRGS-UHFFFAOYSA-N
SMILES:
ON=C1C=CC=CC1=NO
NSC Number:
405248
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| o-Benzoquinone dioxime. | Acta crystallographica. Section E, Structure reports online 20101101 |
| Identification of 2,3-diaminophenazine and of o-benzoquinone dioxime as the major in vitro metabolites of benzofuroxan. | Xenobiotica; the fate of foreign compounds in biological systems 20040401 |
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