Cas no 857244-45-2 (7-Oxa-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylicacid)

7-Oxa-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylicacid structure
857244-45-2 structure
Product Name:7-Oxa-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylicacid
CAS No:857244-45-2
MF:C6H8N2O5
MW:188.138121604919
CID:717698
Update Time:2024-01-31

7-Oxa-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylicacid Chemical and Physical Properties

Names and Identifiers

    • 7-Oxa-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylicacid
    • 7-Oxa-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
    • Inchi: 1S/C6H8N2O5/c9-5(10)7-3-1-2-4(13-3)8(7)6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)
    • InChI Key: CKSKKVWQNZLGCY-UHFFFAOYSA-N
    • SMILES: C12OC(CC1)N(C(O)=O)N2C(O)=O

Computed Properties

  • Exact Mass: 188.043
  • Monoisotopic Mass: 188.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 242
  • 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
  • Topological Polar Surface Area: 90.3A^2

7-Oxa-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylicacid Related Literature

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