Cas no 90049-79-9 (4-isocyanato-1,3-dioxaindane)

4-isocyanato-1,3-dioxaindane structure
4-isocyanato-1,3-dioxaindane structure
Product Name:4-isocyanato-1,3-dioxaindane
CAS No:90049-79-9
MF:C8H5NO3
MW:163.130202054977
MDL:MFCD24450504
CID:795532
PubChem ID:20067551
Update Time:2025-04-19

4-isocyanato-1,3-dioxaindane Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzodioxole, 4-isocyanato-
    • 4-isocyanato-1,3-benzodioxole
    • 4-isocyanato-1,3-dioxaindane
    • 4-Isocyanato-2H-1,3-benzodioxole
    • 90049-79-9
    • DTXSID80602081
    • 4-isocyanato-benzo[1,3]dioxole
    • SCHEMBL3756039
    • EN300-23316636
    • MDL: MFCD24450504
    • Inchi: 1S/C8H5NO3/c10-4-9-6-2-1-3-7-8(6)12-5-11-7/h1-3H,5H2
    • InChI Key: YLMUUJFWZSLYNF-UHFFFAOYSA-N
    • SMILES: O1COC2C=CC=C(C1=2)N=C=O

Computed Properties

  • Exact Mass: 163.026943022g/mol
  • Monoisotopic Mass: 163.026943022g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 212
  • 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: 2.5
  • Topological Polar Surface Area: 47.9?2

4-isocyanato-1,3-dioxaindane Pricemore >>

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