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Home  > Chemistry  > Heterocyclic Building Blocks  > Other Aromatic Heterocycles  > (3aR,4S,9bS)-6-Methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

AI64568

956247-29-3 | (3aR,4S,9bS)-6-Methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

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Description
Catalog Number: AI64568
Chemical Name: (3aR,4S,9bS)-6-Methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CAS Number: 956247-29-3
Molecular Formula: C14H14N2O4
Molecular Weight: 274.272
MDL Number: MFCD07363458
SMILES: OC(=O)[C@H]1Nc2c(C)ccc(c2[C@@H]2[C@H]1CC=C2)[N+](=O)[O-]

 

Computed Properties
Complexity: 459  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 3  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 1  
XLogP3: 2.7  

 

 

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