Cas no 26272-67-3 (Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2,3-diethyl ester, (1S,2S,3S,4R)-rel-)

Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2,3-diethyl ester, (1S,2S,3S,4R)-rel- structure
26272-67-3 structure
Product Name:Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2,3-diethyl ester, (1S,2S,3S,4R)-rel-
CAS No:26272-67-3
MF:C13H18O4
MW:238.279624462128
CID:284258
PubChem ID:250483
Update Time:2025-04-19

Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2,3-diethyl ester, (1S,2S,3S,4R)-rel- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2,3-diethyl ester, (1S,2S,3S,4R)-rel-
    • diethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
    • (+/-)-exo-endo-bis(ethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
    • AC1L5HRU
    • AC1Q64B6
    • AG-E-82303
    • AR-1I4628
    • CTK4F7538
    • diethyl (exo,endo)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
    • DIETHYL BICYCLO[2.2.1]HEPT-2-ENE-5,6-DICARBOXYLATE
    • diethyl trans-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
    • exo,endo-diethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
    • NSC69976
    • SureCN1451358
    • DTXSID10290617
    • Diethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate #
    • Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, diethyl ester
    • Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid,2,3-diethyl ester,(1S,2S,3S,4R)-rel-
    • UXRMRBNLTQHPEU-UHFFFAOYSA-N
    • bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid diethyl ester
    • NSC-69976
    • SCHEMBL1451358
    • 26272-67-3
    • Inchi： 1S/C13H18O4/c1-3-16-12(14)10-8-5-6-9(7-8)11(10)13(15)17-4-2/h5-6,8-11H,3-4,7H2,1-2H3
    • InChI Key： UXRMRBNLTQHPEU-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C(C(=O)OCC)C2C=CC1C2)=O

Computed Properties

  • Exact Mass: 238.12054
  • Monoisotopic Mass: 238.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 315
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2,3-diethyl ester, (1S,2S,3S,4R)-rel- Related Literature

26272-67-3 (Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2,3-diethyl ester, (1S,2S,3S,4R)-rel-) Related Products

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