4-Ethoxymethylene-2-Phenyl-2-Oxazoline-5-One

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Properties Simple | Detailed

Formula C12H11NO3
IUPAC Name (4z)-4-(ethoxymethylene)-2-phenyl-oxazol-5-one
Molecular Mass 217.221 g·mol−1
Heat of Formation -222.4 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 252.41 Å 3
Surface Area 252.7 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry Cs
Synonyms
  • (4z)-4-(ethoxymethylene)-2-phenyl-5-oxazolone
  • (4z)-4-(ethoxymethylene)-2-phenyl-oxazol-5-one
  • (4z)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one
  • 2-oxazolin-5-one, 4-ethoxymethylene-2-phenyl-
  • 4-(ethoxymethylene)-2-phenyl-5-oxazolone
  • 4-(ethoxymethylene)-2-phenyl-oxazol-5-one
  • 4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one
  • 4-ethoxymethylene-2-phenyl oxazolone
  • 5(4h)-oxazolone, 4-(ethoxymethylene)-2-phenyl-
  • 5(4h)-oxazolone, 4-(ethoxymethylene)-2-phenyl- (9ci)
  • oxazolone
  • oxazolone (sensitizing agent)
CAS Number(s)
  • 15646-46-5
InChIKey SJHPCNCNNSSLPL-NTMALXAHSA-N
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