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Home Oxazoles 5429-22-1
5429-22-1,MFCD00098980
Catalog No.:AA00E0TW

5429-22-1 | 4-(4-METHOXYBENZYLIDENE)-2-PHENYL-2-OXAZOLIN-5-ONE

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00E0TW
Chemical Name:
4-(4-METHOXYBENZYLIDENE)-2-PHENYL-2-OXAZOLIN-5-ONE
CAS Number:
5429-22-1
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD00098980
SMILES:
COc1ccc(cc1)/C=C\1/N=C(OC1=O)c1ccccc1
Properties
Computed Properties
 
Complexity:
441  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.5  

Literature

Title: Vibrational assignment of the normal modes of 2-phenyl-4-(4-methoxy benzylidene)-2-oxazolin-5-one via FTIR and Raman spectra, and ab inito calculations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070701

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Tags:5429-22-1 Molecular Formula|5429-22-1 MDL|5429-22-1 SMILES|5429-22-1 4-(4-METHOXYBENZYLIDENE)-2-PHENYL-2-OXAZOLIN-5-ONE