Pregn-4-ene-3,20-dione


Chemical Name: Pregn-4-ene-3,20-dione
CAS Number: 57-83-0
Product Number: AG00IA68(AGN-PC-0OCMQF)
Synonyms:
MDL No:
Molecular Formula: C21H30O2
Molecular Weight: 314.4617

Identification/Properties


Properties
MP:
128-132 °C(lit.)
BP:
394.13°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
182 ° (C=2, Dioxane)
Solubility:
H2O: 25 mg/mL, may be clear to slightly hazy
Computed Properties
Molecular Weight:
314.469g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
314.225g/mol
Monoisotopic Mass:
314.225g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
589
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
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


NMR Spectrum


Other Analytical Data


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