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948827-72-3
Catalog No.:AA01CC0J

948827-72-3 | 4-O-Benzyl-caffeic Acid Methyl Ester

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Technical Information
Catalog Number:
AA01CC0J
Chemical Name:
4-O-Benzyl-caffeic Acid Methyl Ester
CAS Number:
948827-72-3
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
SMILES:
COC(=O)/C=C/c1ccc(c(c1)O)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
347  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
3.3  

Literature
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Additional Info:
SDS
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Tags:948827-72-3 Molecular Formula|948827-72-3 MDL|948827-72-3 SMILES|948827-72-3 4-O-Benzyl-caffeic Acid Methyl Ester