Cas no 89635-80-3 (1-Propyne, 3-[2-(2-ethoxyethoxy)ethoxy]-)

1-Propyne, 3-[2-(2-ethoxyethoxy)ethoxy]- structure
89635-80-3 structure
Product Name:1-Propyne, 3-[2-(2-ethoxyethoxy)ethoxy]-
CAS No:89635-80-3
MF:C9H16O3
MW:172.221543312073
CID:593868
PubChem ID:71325328
Update Time:2025-04-19

1-Propyne, 3-[2-(2-ethoxyethoxy)ethoxy]- Chemical and Physical Properties

Names and Identifiers

    • 1-Propyne, 3-[2-(2-ethoxyethoxy)ethoxy]-
    • 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne
    • 89635-80-3
    • SCHEMBL8200996
    • DTXSID00754692
    • Inchi: 1S/C9H16O3/c1-3-5-11-8-9-12-7-6-10-4-2/h1H,4-9H2,2H3
    • InChI Key: NIFIKPHRYNDRRF-UHFFFAOYSA-N
    • SMILES: O(CCOCC#C)CCOCC

Computed Properties

  • Exact Mass: 172.109944368g/mol
  • Monoisotopic Mass: 172.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 8
  • Complexity: 125
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 27.7?2
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