2-Butene-1,4-dione, 1,4-diphenyl-, (2E)-


Chemical Name: 2-Butene-1,4-dione, 1,4-diphenyl-, (2E)-
CAS Number: 959-28-4
Product Number: AG003UUY(AGN-PC-0OO97J)
Synonyms:
MDL No:
Molecular Formula: C16H12O2
Molecular Weight: 236.2653

Identification/Properties


Properties
MP:
109-112 °C(lit.)
BP:
338.73°C (rough estimate)
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Refractive Index:
1.6000 (estimate)
Computed Properties
Molecular Weight:
236.27g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
236.084g/mol
Monoisotopic Mass:
236.084g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
286
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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