Cas no 10196-27-7 (Glycine, N-(1-oxo-2-propenyl)-, ethyl ester)

Glycine, N-(1-oxo-2-propenyl)-, ethyl ester structure
10196-27-7 structure
Product Name:Glycine, N-(1-oxo-2-propenyl)-, ethyl ester
CAS No:10196-27-7
MF:C7H11NO3
MW:157.167142152786
CID:1131502
Update Time:2024-07-27

Glycine, N-(1-oxo-2-propenyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Glycine, N-(1-oxo-2-propenyl)-, ethyl ester
    • Glycine, N-(1-oxo-2-propen-1-yl)-, ethyl ester
    • Inchi: 1S/C7H11NO3/c1-3-6(9)8-5-7(10)11-4-2/h3H,1,4-5H2,2H3,(H,8,9)
    • InChI Key: UTIFGMUPWVWNIR-UHFFFAOYSA-N
    • SMILES: C(OCC)(=O)CNC(=O)C=C

Computed Properties

  • Exact Mass: 157.073893g/mol
  • Monoisotopic Mass: 157.073893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 157.17g/mol
  • XLogP3: 0.2
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • Density: 1.057±0.06 g/cm3(Predicted)
  • Boiling Point: 111-114 °C(Press: 1 Torr)
  • pka: 13.26±0.46(Predicted)
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