4-Cyclopentene-1,3-dione


Chemical Name: 4-Cyclopentene-1,3-dione
CAS Number: 930-60-9
Product Number: AG003L9W(AGN-PC-0JL9KM)
Synonyms:
MDL No:
Molecular Formula: C5H4O2
Molecular Weight: 96.0841

Identification/Properties


Properties
MP:
34-36 °C(lit.)
BP:
258.1±23.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.4945 (estimate)
Computed Properties
Molecular Weight:
96.085g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
96.021g/mol
Monoisotopic Mass:
96.021g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
128
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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