4H-Pyran-4-one


Chemical Name: 4H-Pyran-4-one
CAS Number: 108-97-4
Product Number: AG003LH5(AGN-PC-050DYH)
Synonyms:
MDL No:
Molecular Formula: C5H4O2
Molecular Weight: 96.0841

Identification/Properties


Properties
MP:
32-34 °C(lit.)
BP:
212.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.5238
Computed Properties
Molecular Weight:
96.085g/mol
XLogP3:
0.1
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:
26.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
119
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

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NMR Spectrum


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