Cas no 53356-63-1 (Cyclobutane, 1,2-diethynyl-, cis-)

Cyclobutane, 1,2-diethynyl-, cis- structure
53356-63-1 structure
Product Name:Cyclobutane, 1,2-diethynyl-, cis-
CAS No:53356-63-1
MF:C8H8
MW:104.149122238159
CID:357508
PubChem ID:12716157
Update Time:2025-04-19

Cyclobutane, 1,2-diethynyl-, cis- Chemical and Physical Properties

Names and Identifiers

    • Cyclobutane, 1,2-diethynyl-, cis-
    • (1R,2S)-1,2-diethynylcyclobutane
    • DTXSID20507824
    • 53356-63-1
    • Inchi: 1S/C8H8/c1-3-7-5-6-8(7)4-2/h1-2,7-8H,5-6H2/t7-,8+
    • InChI Key: IUCJBQSKIYAXIK-OCAPTIKFSA-N
    • SMILES: [C@H]1(C#C)CC[C@H]1C#C

Computed Properties

  • Exact Mass: 104.06264
  • Monoisotopic Mass: 104.062600255g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 149
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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