Cas no 94109-49-6 (Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate)

Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate structure
94109-49-6 structure
Product Name:Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate
CAS No:94109-49-6
MF:C13H16O3
MW:220.264344215393
CID:1000639
Update Time:2023-08-03

Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate
    • ethyl 3-(4-ethylphenyl)oxirane-2-carboxylate
    • 3-(4-Ethylphenyl)oxiranecarboxylic acid ethyl ester
    • Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate
    • Inchi: 1S/C13H16O3/c1-3-9-5-7-10(8-6-9)11-12(16-11)13(14)15-4-2/h5-8,11-12H,3-4H2,1-2H3
    • InChI Key: PJNXXWPQNHTLAO-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)OCC)C1C1C=CC(CC)=CC=1

Computed Properties

  • Exact Mass: 220.109944
  • Monoisotopic Mass: 220.109944
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 244
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.8

Experimental Properties

  • Density: 1.127
  • Boiling Point: 308.6°Cat760mmHg
  • Flash Point: 126°C
  • Refractive Index: 1.53
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