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


Chemical Name: 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-
CAS Number: 615-94-1
Product Number: AG003B5D(AGN-PC-0JL8VN)
Synonyms:
MDL No:
Molecular Formula: C6H4O4
Molecular Weight: 140.0936

Identification/Properties


Properties
MP:
235 °C (dec.)(lit.)
BP:
216.56°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5800 (estimate)
Computed Properties
Molecular Weight:
140.094g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
140.011g/mol
Monoisotopic Mass:
140.011g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
231
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+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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