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5429-22-1 | 4-(4-METHOXYBENZYLIDENE)-2-PHENYL-2-OXAZOLIN-5-ONE
CAS No: 5429-22-1 Catalog No: AG00E0WO MDL No:
Product Description
Catalog Number:
AG00E0WO
Chemical Name:
4-(4-METHOXYBENZYLIDENE)-2-PHENYL-2-OXAZOLIN-5-ONE
CAS Number:
5429-22-1
IUPAC Name:
4-[(4-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C17H13NO3/c1-20-14-9-7-12(8-10-14)11-15-17(19)21-16(18-15)13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
MGAHWEWWFYOBNW-UHFFFAOYSA-N
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| 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. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070701 |
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