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887352-95-6,MFCD04973553
Catalog No.:AA0045FN

887352-95-6 | 4'-Benzyloxy Carvedilol

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Technical Information
Catalog Number:
AA0045FN
Chemical Name:
4'-Benzyloxy Carvedilol
CAS Number:
887352-95-6
Molecular Formula:
C31H32N2O5
Molecular Weight:
512.5962
MDL Number:
MFCD04973553
SMILES:
COc1cc(OCc2ccccc2)ccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O
Properties
Properties
 
MP:
57-64ºC  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
677  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
13  
Undefined Atom Stereocenter Count:
1  
XLogP3:
5.7  

Literature
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Additional Info:
SDS
Tags:887352-95-6 Molecular Formula|887352-95-6 MDL|887352-95-6 SMILES|887352-95-6 4'-Benzyloxy Carvedilol