Cas no 92096-05-4 (1,4-Dioxaspiro[4.6]undecan-7-one)

1,4-Dioxaspiro[4.6]undecan-7-one structure
92096-05-4 structure
Product Name:1,4-Dioxaspiro[4.6]undecan-7-one
CAS No:92096-05-4
MF:C9H14O3
MW:170.205663204193
CID:2103749
PubChem ID:13298812
Update Time:2025-04-21

1,4-Dioxaspiro[4.6]undecan-7-one Chemical and Physical Properties

Names and Identifiers

    • 1,4-Dioxaspiro[4.6]undecan-7-one
    • 1,4-Dioxaspiro(4.6)undecan-7-one
    • DTXSID101302715
    • 92096-05-4
    • DA-30203
    • Inchi: 1S/C9H14O3/c10-8-3-1-2-4-9(7-8)11-5-6-12-9/h1-7H2
    • InChI Key: TTYIGJNHOYVTTF-UHFFFAOYSA-N
    • SMILES: O1CCOC21CC(CCCC2)=O

Computed Properties

  • Exact Mass: 170.094294304Da
  • Monoisotopic Mass: 170.094294304Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 182
  • 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: 0.2
  • Topological Polar Surface Area: 35.5?2
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