Cas no 62644-28-4 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-(1-methylethoxy)-)

3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-(1-methylethoxy)- structure
62644-28-4 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-(1-methylethoxy)-
CAS No:62644-28-4
MF:C8H12O4
MW:172.178483009338
CID:436647
PubChem ID:21397327
Update Time:2025-04-19

3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-(1-methylethoxy)- Chemical and Physical Properties

Names and Identifiers

    • 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-(1-methylethoxy)-
    • 2-propan-2-yloxy-3,7-dioxabicyclo[4.1.0]heptan-5-one
    • DTXSID70613025
    • Propan-2-yl 2,3-anhydropentopyranosid-4-ulose
    • 62644-28-4
    • SCHEMBL11757861
    • Inchi: 1S/C8H12O4/c1-4(2)11-8-7-6(12-7)5(9)3-10-8/h4,6-8H,3H2,1-2H3
    • InChI Key: WFQUNQZHPYOKKD-UHFFFAOYSA-N
    • SMILES: O1C2C(COC(C12)OC(C)C)=O

Computed Properties

  • Exact Mass: 172.07356
  • Monoisotopic Mass: 172.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 201
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 48.1?2

Experimental Properties

  • PSA: 48.06
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