Cas no 176-37-4 (1,4,6-Trioxaspiro[4.4]nonane)

1,4,6-Trioxaspiro[4.4]nonane structure
1,4,6-Trioxaspiro[4.4]nonane structure
Product Name:1,4,6-Trioxaspiro[4.4]nonane
CAS No:176-37-4
MF:C6H10O3
MW:130.141802310944
CID:96218
PubChem ID:13088306
Update Time:2025-04-18

1,4,6-Trioxaspiro[4.4]nonane Chemical and Physical Properties

Names and Identifiers

    • 1,4,6-Trioxaspiro[4.4]nonane
    • SCHEMBL1127584
    • DTXSID50517794
    • 176-37-4
    • Inchi: 1S/C6H10O3/c1-2-6(7-3-1)8-4-5-9-6/h1-5H2
    • InChI Key: WQWHDRISACGTCO-UHFFFAOYSA-N
    • SMILES: O1CCCC21OCCO2

Computed Properties

  • Exact Mass: 130.063
  • Monoisotopic Mass: 130.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 107
  • 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: 0.1
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • PSA: 27.69
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