2,5-Cyclohexadiene-1,4-dione, dioxime


Chemical Name: 2,5-Cyclohexadiene-1,4-dione, dioxime
CAS Number: 105-11-3
Product Number: AG003DMG(AGN-PC-0NVZRL)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O2
Molecular Weight: 138.1240

Identification/Properties


Properties
MP:
243 °C
BP:
298.9 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5100 (estimate)
Solubility:
dioxane: soluble0.1g/10 mL, clear
Computed Properties
Molecular Weight:
138.126g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
138.043g/mol
Monoisotopic Mass:
138.043g/mol
Topological Polar Surface Area:
61.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
110
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H351
Precautionary Statements:
P301+P330+P331-P312-P264-P201-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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