Cas no 36099-39-5 (2-Oxiranol, 2-acetate)

2-Oxiranol, 2-acetate structure
2-Oxiranol, 2-acetate structure
Product Name:2-Oxiranol, 2-acetate
CAS No:36099-39-5
MF:C4H6O3
MW:102.088641643524
CID:311382
PubChem ID:160259
Update Time:2025-04-19

2-Oxiranol, 2-acetate Chemical and Physical Properties

Names and Identifiers

    • 2-Oxiranol, 2-acetate
    • 2-oxiranol, acetate
    • Oxiran-2-yl acetate
    • Oxiranol, acetate
    • 36099-39-5
    • Acetoxyoxirane
    • SCHEMBL3024710
    • Acetoxyoxiran
    • DTXSID80957503
    • Inchi: 1S/C4H6O3/c1-3(5)7-4-2-6-4/h4H,2H2,1H3
    • InChI Key: PTLPNBKWIDVXHN-UHFFFAOYSA-N
    • SMILES: O1CC1OC(C)=O

Computed Properties

  • Exact Mass: 102.03168
  • Monoisotopic Mass: 102.031694049g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 88.9
  • 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
  • XLogP3: -0.1
  • Topological Polar Surface Area: 38.8?2

Experimental Properties

  • PSA: 38.83

2-Oxiranol, 2-acetate Related Literature

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