Cas no 66033-93-0 (1,2-Benzisoxazol-6-ol,3-ethyl-(9CI))

1,2-Benzisoxazol-6-ol,3-ethyl-(9CI) structure
66033-93-0 structure
Product Name:1,2-Benzisoxazol-6-ol,3-ethyl-(9CI)
CAS No:66033-93-0
MF:C9H9NO2
MW:163.173262357712
CID:963017
Update Time:2023-11-19

1,2-Benzisoxazol-6-ol,3-ethyl-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisoxazol-6-ol,3-ethyl-(9CI)
    • 3-ethylbenzo[d]isoxazol-6-ol
    • CID 136295738
    • 1,2-Benzisoxazol-6-ol, 3-ethyl-
    • Inchi: 1S/C9H9NO2/c1-2-8-7-4-3-6(11)5-9(7)12-10-8/h3-5,11H,2H2,1H3
    • InChI Key: JKBGIUSYZSSVET-UHFFFAOYSA-N
    • SMILES: O1C2C=C(C=CC=2C(CC)=N1)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 163
  • Topological Polar Surface Area: 46.3

Experimental Properties

  • Density: 1.247±0.06 g/cm3(Predicted)
  • Boiling Point: 316.8±22.0 °C(Predicted)
  • pka: 8.39±0.40(Predicted)
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