Home Nitro Compounds 864071-82-9
864071-82-9,MFCD09841101
Catalog No.:AA00GVPY

864071-82-9 | N'-Nitrosonornicotine-N-b-D-glucuronide

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  • Technical Information
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Technical Information
Catalog Number:
AA00GVPY
Chemical Name:
N'-Nitrosonornicotine-N-b-D-glucuronide
CAS Number:
864071-82-9
Molecular Formula:
C15H19N3O7
Molecular Weight:
353.3273
MDL Number:
MFCD09841101
SMILES:
C1CC(N(C1)N=O)C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)[O-])O)O)O
Properties
Computed Properties
 
Complexity:
502  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
-0.1  

Literature
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SDS
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Tags:864071-82-9 Molecular Formula|864071-82-9 MDL|864071-82-9 SMILES|864071-82-9 N'-Nitrosonornicotine-N-b-D-glucuronide