Cas no 69320-05-4 (Phenanthrene, 4-ethynyl-)

Phenanthrene, 4-ethynyl- structure
Phenanthrene, 4-ethynyl- structure
Product Name:Phenanthrene, 4-ethynyl-
CAS No:69320-05-4
MF:C16H10
MW:202.250604152679
CID:391934
PubChem ID:71374457
Update Time:2025-04-19

Phenanthrene, 4-ethynyl- Chemical and Physical Properties

Names and Identifiers

    • Phenanthrene, 4-ethynyl-
    • 4-ethynylphenanthrene
    • DTXSID90797235
    • 69320-05-4
    • Inchi: 1S/C16H10/c1-2-12-7-5-8-14-11-10-13-6-3-4-9-15(13)16(12)14/h1,3-11H
    • InChI Key: UQISARXAVAUPBV-UHFFFAOYSA-N
    • SMILES: C12C(C#C)=CC=CC1=CC=C1C=CC=CC=21

Computed Properties

  • Exact Mass: 202.0783
  • Monoisotopic Mass: 202.078250319g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 294
  • 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: 4.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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