Cas no 3580-77-6 (11H-Dibenzo[b,e][1,4]dioxepin-11-one)

11H-Dibenzo[b,e][1,4]dioxepin-11-one structure
3580-77-6 structure
Product Name:11H-Dibenzo[b,e][1,4]dioxepin-11-one
CAS No:3580-77-6
MF:C13H8O3
MW:212.200823783875
CID:317254
PubChem ID:65123
Update Time:2025-04-19

11H-Dibenzo[b,e][1,4]dioxepin-11-one Chemical and Physical Properties

Names and Identifiers

    • 11H-Dibenzo[b,e][1,4]dioxepin-11-one
    • benzo[b][1,4]benzodioxepin-6-one
    • 11H-Dibenzo(b,e)(1,4)dioxepin-11-one
    • doi:10.14272/YCJBWNIROIXYPD-UHFFFAOYSA-N
    • Dibenzo[b,e][1,4]dioxepin-11-one
    • 10.14272/YCJBWNIROIXYPD-UHFFFAOYSA-N
    • CHEBI:75940
    • DTXSID50189334
    • Q27145649
    • Depsidone
    • 11H-dibenzo (b,e)-1,4-dioxepine-11-one
    • Benzoic acid, 2-(2-hydroxyphenoxy)-, .epsilon.-lactone
    • 3580-77-6
    • SCHEMBL2113335
    • Inchi: 1S/C13H8O3/c14-13-9-5-1-2-6-10(9)15-11-7-3-4-8-12(11)16-13/h1-8H
    • InChI Key: YCJBWNIROIXYPD-UHFFFAOYSA-N
    • SMILES: O1C2C=CC=CC=2OC(C2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 212.04734
  • Monoisotopic Mass: 212.047344
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 276
  • 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
  • Topological Polar Surface Area: 35.5
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.306
  • Boiling Point: 353.5°Cat760mmHg
  • Flash Point: 147.2°C
  • Refractive Index: 1.621
  • PSA: 35.53

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