Cas no 109282-26-0 (7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 1-ethyl-, (exo,exo)- (9CI))

7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 1-ethyl-, (exo,exo)- (9CI) structure
109282-26-0 structure
Product Name:7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 1-ethyl-, (exo,exo)- (9CI)
CAS No:109282-26-0
MF:C10H14O5
MW:214.215163707733
CID:203001
PubChem ID:3065927
Update Time:2025-04-19

7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 1-ethyl-, (exo,exo)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 1-ethyl-, (exo,exo)- (9CI)
    • 4-ethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
    • 109282-26-0
    • DTXSID30911074
    • 1-Ethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid (exo,exo)-
    • 1-ETHYL-7-OXABICYCLO[2.2.1]HEPTANE-2,3-DICARBOXYLIC ACID
    • 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 1-ethyl-, (exo,exo)-
    • Inchi: 1S/C10H14O5/c1-2-10-4-3-5(15-10)6(8(11)12)7(10)9(13)14/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
    • InChI Key: SSRIKUWKLSGZSE-UHFFFAOYSA-N
    • SMILES: O1C2CCC1(CC)C(C(=O)O)C2C(=O)O

Computed Properties

  • Exact Mass: 214.08412
  • Monoisotopic Mass: 214.08412354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 313
  • 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: 0.2
  • Topological Polar Surface Area: 83.8?2

Experimental Properties

  • PSA: 83.83
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