Cas no 103304-77-4 (Glycine, N,N'-[(2E)-1,4-dioxo-2-butene-1,4-diyl]bis-)

Glycine, N,N'-[(2E)-1,4-dioxo-2-butene-1,4-diyl]bis- structure
103304-77-4 structure
Product Name:Glycine, N,N'-[(2E)-1,4-dioxo-2-butene-1,4-diyl]bis-
CAS No:103304-77-4
MF:C8H10N2O6
MW:230.174802303314
CID:1136671
Update Time:2024-07-27

Glycine, N,N'-[(2E)-1,4-dioxo-2-butene-1,4-diyl]bis- Chemical and Physical Properties

Names and Identifiers

    • Glycine, N,N'-[(2E)-1,4-dioxo-2-butene-1,4-diyl]bis-
    • Glycine, N,N'-[(2E)-1,4-dioxo-2-butene-1,4-diyl]bis- (9CI)
    • Inchi: 1S/C8H10N2O6/c11-5(9-3-7(13)14)1-2-6(12)10-4-8(15)16/h1-2H,3-4H2,(H,9,11)(H,10,12)(H,13,14)(H,15,16)/b2-1+
    • InChI Key: KNHSKQLZPYDQMG-OWOJBTEDSA-N
    • SMILES: C(NCC(O)=O)(=O)/C=C/C(NCC(O)=O)=O

Computed Properties

  • Exact Mass: 230.053886g/mol
  • Monoisotopic Mass: 230.053886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 303
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 230.17g/mol
  • XLogP3: -1.8
  • Topological Polar Surface Area: 133?2

Experimental Properties

  • Density: 1.481±0.06 g/cm3(Predicted)
  • Boiling Point: 730.4±60.0 °C(Predicted)
  • pka: 3.22±0.10(Predicted)
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