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Home Other Building Blocks 72820-16-7
72820-16-7,MFCD21363513
Catalog No.:AA00FDUC

72820-16-7 | N-Ethoxycarbonyl 7-ADCA

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Technical Information
Catalog Number:
AA00FDUC
Chemical Name:
N-Ethoxycarbonyl 7-ADCA
CAS Number:
72820-16-7
Molecular Formula:
C11H14N2O5S
Molecular Weight:
286.3043
MDL Number:
MFCD21363513
SMILES:
CCOC(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C
Properties
Computed Properties
 
Complexity:
476  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
0.2  

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Additional Info:
SDS
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Tags:72820-16-7 Molecular Formula|72820-16-7 MDL|72820-16-7 SMILES|72820-16-7 N-Ethoxycarbonyl 7-ADCA