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AI63901

95104-44-2 | 5-(Hydroxymethyl)-3-phenyl-4-isoxazolecarboxylic acid ethyl ester

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Description
Catalog Number: AI63901
Chemical Name: 5-(Hydroxymethyl)-3-phenyl-4-isoxazolecarboxylic acid ethyl ester
CAS Number: 95104-44-2
Molecular Formula: C13H13NO4
Molecular Weight: 247.2466
MDL Number: MFCD22123831
SMILES: CCOC(=O)c1c(CO)onc1c1ccccc1

 

Computed Properties
Complexity: 278  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 5  
XLogP3: 1.4  

 

 

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