1,4-Dioxane-2,6-dione


Chemical Name: 1,4-Dioxane-2,6-dione
CAS Number: 4480-83-5
Product Number: AG003DOZ(AGN-PC-0JLR89)
Synonyms:
MDL No:
Molecular Formula: C4H4O4
Molecular Weight: 116.0722

Identification/Properties


Properties
MP:
92-93 °C(lit.)
BP:
240-241 °C(lit.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.5800 (estimate)
Solubility:
Soluble in chloroform.
Computed Properties
Molecular Weight:
116.072g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
116.011g/mol
Monoisotopic Mass:
116.011g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
114
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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