Cas no 200353-88-4 (ethyl 4-azatricyclo[5.2.2.0]undeca-2,5,8-triene-3-carboxylate)

ethyl 4-azatricyclo[5.2.2.0]undeca-2,5,8-triene-3-carboxylate structure
200353-88-4 structure
Product Name:ethyl 4-azatricyclo[5.2.2.0]undeca-2,5,8-triene-3-carboxylate
CAS No:200353-88-4
MF:C13H15NO2
MW:217.263703584671
CID:1391410
PubChem ID:12116659
Update Time:2025-04-20

ethyl 4-azatricyclo[5.2.2.0]undeca-2,5,8-triene-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 4,7-Ethano-2H-isoindole-1-carboxylic acid, 4,7-dihydro-, ethyl ester
    • ethyl 4,7-dihydro-4,7-ethano-2H-isoindole-1-carboxylate
    • ethyl 4-azatricyclo[5.2.2.0]undeca-2,5,8-triene-3-carboxylate
    • DTXSID20477836
    • P14726
    • CS-0055691
    • YIJOASXMXJOMPB-UHFFFAOYSA-N
    • SB13034
    • SCHEMBL1949351
    • ethyl-4,7-dihydro-4,7-ethano-2H-isoindole-1-carboxylate
    • Ethyl4,7-dihydro-2H-4,7-ethanoisoindole-1-carboxylate
    • 200353-88-4
    • Ethyl 4,7-dihydro-2H-4,7-ethanoisoindole-1-carboxylate
    • ethyl 4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3-carboxylate
    • Inchi: 1S/C13H15NO2/c1-2-16-13(15)12-11-9-5-3-8(4-6-9)10(11)7-14-12/h3,5,7-9,14H,2,4,6H2,1H3
    • InChI Key: YIJOASXMXJOMPB-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=C2C(=CN1)C1C=CC2CC1)=O

Computed Properties

  • Exact Mass: 217.11035
  • Monoisotopic Mass: 217.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 326
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • PSA: 42.09

ethyl 4-azatricyclo[5.2.2.0]undeca-2,5,8-triene-3-carboxylate Pricemore >>

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ethyl 4-azatricyclo[5.2.2.0]undeca-2,5,8-triene-3-carboxylate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:200353-88-4)ethyl 4-azatricyclo[5.2.2.0]undeca-2,5,8-triene-3-carboxylate
Order Number:A1077112
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 19:01
Price ($):1132.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:200353-88-4)ethyl 4-azatricyclo[5.2.2.0]undeca-2,5,8-triene-3-carboxylate
A1077112
Purity:99%
Quantity:1g
Price ($):1132.0
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