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Home  > Chemistry  > Heterocyclic Building Blocks  > Other Aliphatic Heterocycles  > Methyl 3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazole-5-carboxylate

AF00790

1437794-30-3 | Methyl 3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazole-5-carboxylate

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Description
Catalog Number: AF00790
Chemical Name: Methyl 3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazole-5-carboxylate
CAS Number: 1437794-30-3
Molecular Formula: C9H14N2O2
Molecular Weight: 182.2197
MDL Number: MFCD27940054
SMILES: COC(=O)C1CCC2C(C1)N=CN2

 

Computed Properties
Complexity: 240  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 3  

 

 

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