Cas no 291-71-4 (1H-Phosphepin)

1H-Phosphepin structure
1H-Phosphepin structure
Product Name:1H-Phosphepin
CAS No:291-71-4
MF:C6H7P
MW:110.093542337418
CID:1439451
PubChem ID:17780655
Update Time:2025-04-20

1H-Phosphepin Chemical and Physical Properties

Names and Identifiers

    • 1H-Phosphepin
    • 1H-phosphepine
    • 291-71-4
    • phosphepine
    • DTXSID60590952
    • SCHEMBL17937926
    • Inchi: 1S/C6H7P/c1-2-4-6-7-5-3-1/h1-7H
    • InChI Key: GBMBLXQWVALWHS-UHFFFAOYSA-N
    • SMILES: P1C=CC=CC=C1

Computed Properties

  • Exact Mass: 110.02861
  • Monoisotopic Mass: 110.028537221g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 106
  • 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: 1.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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