Cas no 1986710-51-3 (1H-Indole-1,3-diyl diacetate)

1H-Indole-1,3-diyl diacetate structure
1H-Indole-1,3-diyl diacetate structure
Product Name:1H-Indole-1,3-diyl diacetate
CAS No:1986710-51-3
MF:C12H11NO4
MW:233.2200
CID:5070111
PubChem ID:53400427
Update Time:2026-03-01

1H-Indole-1,3-diyl diacetate Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-1,3-diyl diacetate
    • AB01340
    • AS07090
    • 8-Hydroxyquinolinepotassiumhydrogensulfate
    • X5625
    • A810930
    • BS-50858
    • MFCD00056014
    • 1H-Indole-1,3-diyldiacetate
    • 1986710-51-3
    • 3-(ACETYLOXY)INDOL-1-YL ACETATE
    • AKOS016002129
    • MDL: MFCD00056014
    • Inchi: 1S/C12H11NO4/c1-8(14)16-12-7-13(17-9(2)15)11-6-4-3-5-10(11)12/h3-7H,1-2H3
    • InChI Key: BFOSGUOOSPMQOE-UHFFFAOYSA-N
    • SMILES: O(C(C([H])([H])[H])=O)N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)OC(C([H])([H])[H])=O

Computed Properties

  • Exact Mass: 233.06880783g/mol
  • Monoisotopic Mass: 233.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 318
  • 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: 1.9
  • Topological Polar Surface Area: 57.5

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