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95104-44-2,MFCD22123831
Catalog No.:AA00IIO1

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

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IIO1
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
Properties
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  

Downstream Synthesis Route
95104-44-2   
5-Chloromethyl-3-phenyl-isoxazole-4-carboxylicacidethylester 

[1]Deshayes,Christian;Chabannet,Michel;Najib,Boubker;Gelin,Suzanne[Heterocycles,1985,vol.23,#7,p.1651-1657]

[1]Deshayes,Christian;Chabannet,Michel;Gelin,Suzanne[Synthesis,1984,#10,p.868-870]

[2]CurrentPatentAssignee:ABBVIEINC-US2017/73353,2017,A1Locationinpatent:Paragraph0633

[1]Deshayes,Christian;Chabannet,Michel;Najib,Boubker;Gelin,Suzanne[Heterocycles,1985,vol.23,#7,p.1651-1657]

[1]Deshayes,Christian;Chabannet,Michel;Najib,Boubker;Gelin,Suzanne[Heterocycles,1985,vol.23,#7,p.1651-1657]

95104-44-2   
5-Phenoxymethyl-3-phenyl-isoxazole-4-carboxylicacidethylester 

[1]Deshayes,Christian;Chabannet,Michel;Najib,Boubker;Gelin,Suzanne[Heterocycles,1985,vol.23,#7,p.1651-1657]

Literature
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SDS
Tags:95104-44-2 Molecular Formula|95104-44-2 MDL|95104-44-2 SMILES|95104-44-2 5-(Hydroxymethyl)-3-phenyl-4-isoxazolecarboxylic acid ethyl ester