Cas no 883972-07-4 (Dibenzo[b,e][1,4]dioxin-1-ol,8-nitro-)

Dibenzo[b,e][1,4]dioxin-1-ol,8-nitro- structure
883972-07-4 structure
Product Name:Dibenzo[b,e][1,4]dioxin-1-ol,8-nitro-
CAS No:883972-07-4
MF:C12H7NO5
MW:245.187683343887
CID:710460
Update Time:2024-01-31

Dibenzo[b,e][1,4]dioxin-1-ol,8-nitro- Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[b,e][1,4]dioxin-1-ol,8-nitro-
    • Dibenzo[b,e][1,4]dioxin-1-ol, 8-nitro-
    • Inchi: 1S/C12H7NO5/c14-8-2-1-3-10-12(8)18-11-6-7(13(15)16)4-5-9(11)17-10/h1-6,14H
    • InChI Key: JPOJJCJMNQLKEA-UHFFFAOYSA-N
    • SMILES: O1C2=CC=C([N+]([O-])=O)C=C2OC2=C(O)C=CC=C12

Computed Properties

  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 539
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 5.4
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