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117048-56-3,MFCD13195553
Catalog No.:AA000DJX

117048-56-3 | Pregna-1,4,9(11),16-tetraene-3,20-dione

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Technical Information
Catalog Number:
AA000DJX
Chemical Name:
Pregna-1,4,9(11),16-tetraene-3,20-dione
CAS Number:
117048-56-3
Molecular Formula:
C21H24O2
Molecular Weight:
308.4141
MDL Number:
MFCD13195553
SMILES:
O=C1C=C[C@]2(C(=C1)CC[C@@H]1C2=CC[C@]2([C@H]1CC=C2C(=O)C)C)C
Properties
Computed Properties
 
Complexity:
733  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
3.2  

Literature
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Additional Info:
SDS
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Tags:117048-56-3 Molecular Formula|117048-56-3 MDL|117048-56-3 SMILES|117048-56-3 Pregna-1,4,9(11),16-tetraene-3,20-dione