2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-


Chemical Name: 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-
CAS Number: 530-55-2
Product Number: AG003G50(AGN-PC-0JL8CY)
Synonyms:
MDL No:
Molecular Formula: C8H8O4
Molecular Weight: 168.1467

Identification/Properties


Properties
MP:
253-257 °C (dec.)(lit.)
BP:
311.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5090 (estimate)
Solubility:
DMSO: soluble(lit.)
Computed Properties
Molecular Weight:
168.148g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
168.042g/mol
Monoisotopic Mass:
168.042g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
259
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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