Cas no 6696-68-0 (Bicyclo[2.2.2]octane-2,3-dicarboxylic acid)

Bicyclo[2.2.2]octane-2,3-dicarboxylic acid structure
6696-68-0 structure
Product Name:Bicyclo[2.2.2]octane-2,3-dicarboxylic acid
CAS No:6696-68-0
MF:C10H14O4
MW:198.215763568878
CID:965004
PubChem ID:238488
Update Time:2025-04-19

Bicyclo[2.2.2]octane-2,3-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • bicyclo[2.2.2]octane-7,8-dicarboxylic acid
    • (+-)-trans-9,10-Dihydro-phenanthren-dicarbonsaeure-(9.10)
    • (+-)-trans-9,10-dihydro-phenanthrene-dicarboxylic acid-(9.10)
    • (+-)-trans-Bicyclo[2.2.2]octan-2,3-dicarbonsaeure
    • (+-)-trans-Bicyclo[2.2.2]octan-dicarbonsaeure-(2.3)
    • (+-)-trans-bicyclo[2.2.2]octane-2,3-dicarboxylic acid
    • Nsc29072
    • trans-2,3-Dicarboxybicyclo< 2.2.2> octan
    • trans-9,10-Dihydro-phenanthren-9,10-dicarbonsa
    • trans-9,10-dihydrophenanthrene-9,10-dicarboxylic acid
    • 6303-66-8
    • bicyclo[2.2.2]octane-2,3-dicarboxylic acid
    • NSC-191845
    • Oprea1_062914
    • SCHEMBL1664043
    • CHEMBL1729119
    • SB74198
    • SMR001527226
    • NSC42843
    • MLS002608478
    • HMS1661P14
    • trans-bicyclo[2.2.2]octane-2,3-dicarboxylic acid
    • DTXSID00285799
    • NSC191845
    • HMS3088M11
    • 6696-68-0
    • NSC-42843
    • Bicyclo[2.2.2]octane-2,3-dicarboxylic acid
    • Inchi: 1S/C10H14O4/c11-9(12)7-5-1-2-6(4-3-5)8(7)10(13)14/h5-8H,1-4H2,(H,11,12)(H,13,14)
    • InChI Key: DOYWWWWTUGGBQS-UHFFFAOYSA-N
    • SMILES: OC(C1C(C(=O)O)C2CCC1CC2)=O

Computed Properties

  • Exact Mass: 198.08922
  • Monoisotopic Mass: 198.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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: 1.5
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
  • LogP: 1.20800

Bicyclo[2.2.2]octane-2,3-dicarboxylic acid Pricemore >>

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