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Home Other Heterocycles 1004-98-4
1004-98-4,MFCD18086974
Catalog No.:AA0001V1

1004-98-4 | 2,5-Diazabicyclo[2.2.2]octane-3,6-dione

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  • Technical Information
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Technical Information
Catalog Number:
AA0001V1
Chemical Name:
2,5-Diazabicyclo[2.2.2]octane-3,6-dione
CAS Number:
1004-98-4
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD18086974
SMILES:
O=C1NC2CCC1NC2=O
Properties
Computed Properties
 
Complexity:
180  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Undefined Atom Stereocenter Count:
2  
XLogP3:
-0.8  

Literature

Title: 2-(4-Meth-oxy-benz-yl)-4,6-diphenyl-2,5-diaza-bicyclo-[2.2.2]oct-5-en-3-one.

Journal: Acta crystallographica. Section E, Structure reports online 20110501

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Tags:1004-98-4 Molecular Formula|1004-98-4 MDL|1004-98-4 SMILES|1004-98-4 2,5-Diazabicyclo[2.2.2]octane-3,6-dione