Pregn-4-ene-3,11,20-trione


Chemical Name: Pregn-4-ene-3,11,20-trione
CAS Number: 516-15-4
Product Number: AG00DEOZ(AGN-PC-0OBJGJ)
Synonyms:
MDL No:
Molecular Formula: C21H28O3
Molecular Weight: 328.4452

Identification/Properties


Properties
MP:
174 - 176ºC
Form:
Solid
Computed Properties
Molecular Weight:
328.452g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
328.204g/mol
Monoisotopic Mass:
328.204g/mol
Topological Polar Surface Area:
51.2A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
660
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


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301+H311+H331
Precautionary Statements:
P501-P261-P270-P271-P264-P280-P361+P364-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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