Cas no 391926-47-9 (Oxazole, 5-[2-[(2S)-oxiranylmethoxy]phenyl]-)

Oxazole, 5-[2-[(2S)-oxiranylmethoxy]phenyl]- structure
391926-47-9 structure
Product Name:Oxazole, 5-[2-[(2S)-oxiranylmethoxy]phenyl]-
CAS No:391926-47-9
MF:C12H11NO3
MW:217.220643281937
CID:1500451
Update Time:2024-08-23

Oxazole, 5-[2-[(2S)-oxiranylmethoxy]phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Oxazole, 5-[2-[(2S)-oxiranylmethoxy]phenyl]-
    • Oxazole, 5-[2-[(2S)-2-oxiranylmethoxy]phenyl]-
    • Inchi: 1S/C12H11NO3/c1-2-4-11(15-7-9-6-14-9)10(3-1)12-5-13-8-16-12/h1-5,8-9H,6-7H2/t9-/m0/s1
    • InChI Key: OQRXDNHPSYERFV-VIFPVBQESA-N
    • SMILES: O1C(C2=CC=CC=C2OC[C@@H]2CO2)=CN=C1

Computed Properties

  • Exact Mass: 217.07393

Experimental Properties

  • Density: 1.240±0.06 g/cm3(Predicted)
  • Boiling Point: 342.4±17.0 °C(Predicted)
  • PSA: 47.79
  • pka: 0.42±0.10(Predicted)
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