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956247-29-3,MFCD07363458
Catalog No.:AA00IJ6K

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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Technical Information
Catalog Number:
AA00IJ6K
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:
274.2720
MDL Number:
MFCD07363458
SMILES:
CC1=C2C(=C(C=C1)[N+](=O)[O-])C3C=CCC3C(N2)C(=O)O
Properties
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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Tags:956247-29-3 Molecular Formula|956247-29-3 MDL|956247-29-3 SMILES|956247-29-3 (3aR,4S,9bS)-6-Methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid