3-Cyclobutene-1,2-dione, 3,4-dimethoxy-


Chemical Name: 3-Cyclobutene-1,2-dione, 3,4-dimethoxy-
CAS Number: 5222-73-1
Product Number: AG0037DT(AGN-PC-0JLOBN)
Synonyms:
MDL No:
Molecular Formula: C6H6O4
Molecular Weight: 142.1094

Identification/Properties


Properties
MP:
54-57 °C
BP:
286.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.5800 (estimate)
Computed Properties
Molecular Weight:
142.11g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
142.027g/mol
Monoisotopic Mass:
142.027g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
202
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:
Danger
UN#:
2811
Hazard Statements:
H315-H317-H319-H334-H335
Precautionary Statements:
P302+P352-P333+P313-P337+P313-P304+P340-P312-P280-P332+P313
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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