Cas no 74742-36-2 (Tricyclo[5.2.0.0(2,5)]nonane-3,4,8,9-tetracarboxylic acid, 6-oxo-, tetramethyl ester)

Tricyclo[5.2.0.0(2,5)]nonane-3,4,8,9-tetracarboxylic acid, 6-oxo-, tetramethyl ester structure
74742-36-2 structure
Product Name:Tricyclo[5.2.0.0(2,5)]nonane-3,4,8,9-tetracarboxylic acid, 6-oxo-, tetramethyl ester
CAS No:74742-36-2
MF:C17H20O9
MW:368.335306167603
CID:2673569
Update Time:2023-08-06

Tricyclo[5.2.0.0(2,5)]nonane-3,4,8,9-tetracarboxylic acid, 6-oxo-, tetramethyl ester Chemical and Physical Properties

Names and Identifiers

    • 6-Oxotricyclo[5.2.0.02,5]nonane-3,4,8,9-tetracarboxylic acid tetramethyl ester
    • Tricyclo[5.2.0.0(2,5)]nonane-3,4,8,9-tetracarboxylic acid, 6-oxo-, tetramethyl ester
    • GQYLJCMXRRDBPR-UHFFFAOYSA-N
    • Inchi: 1S/C17H20O9/c1-23-14(19)9-5-6-8(13(18)7(5)11(9)16(21)25-3)12(17(22)26-4)10(6)15(20)24-2/h5-12H,1-4H3
    • InChI Key: GQYLJCMXRRDBPR-UHFFFAOYSA-N
    • SMILES: O=C1C2C(C(=O)OC)C(C(=O)OC)C2C2C(C(=O)OC)C(C(=O)OC)C21

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 8
  • Complexity: 628
  • Topological Polar Surface Area: 122
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