Cas no 301168-22-9 (1-(3-Isopropylisoxazol-5-yl)ethanol)

1-(3-Isopropylisoxazol-5-yl)ethanol structure
301168-22-9 structure
Product Name:1-(3-Isopropylisoxazol-5-yl)ethanol
CAS No:301168-22-9
MF:C8H13NO2
MW:155.194322347641
CID:298982
Update Time:2023-08-02

1-(3-Isopropylisoxazol-5-yl)ethanol Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolemethanol, a-methyl-3-(1-methylethyl)-
    • 5-Isoxazolemethanol,alpha-methyl-3-(1-methylethyl)-(9CI)
    • 1-(3-isopropylisoxazol-5-yl)ethanol
    • 1-(3-Isopropylisoxazol-5-yl)ethanol
    • Inchi: 1S/C8H13NO2/c1-5(2)7-4-8(6(3)10)11-9-7/h4-6,10H,1-3H3
    • InChI Key: GBQBRQMVTOWOIN-UHFFFAOYSA-N
    • SMILES: O1C(C(C)O)=CC(C(C)C)=N1

Computed Properties

  • Exact Mass: 155.095
  • Monoisotopic Mass: 155.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 127
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.3
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