Cas no 5735-86-4 ( )

  structure
  structure
Product Name: 
CAS No:5735-86-4
MF:C3H5NO2
MW:87.077300786972
CID:882643
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 3-oxopropanamide
    • 2-carbamoyl acetaldehyde
    • 3-oxo-propionic acid amide
    • 3-Oxo-propionsaeure-amid
    • AC1L5J59
    • AC1Q6QHK
    • AR-1F4848
    • CTK5A6717
    • Malonaldehydamide
    • N-acetaldehydecarboxamide
    • NSC123371
    • Propanamide,3-oxo-
    •  
    • Inchi: 1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)
    • InChI Key: OFZFFIDUIUEPIB-UHFFFAOYSA-N
    • SMILES: NC(CC=O)=O

Computed Properties

  • Exact Mass: 87.03205
  • Monoisotopic Mass: 87.032
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 69.2
  • 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

Experimental Properties

  • Density: 1.143
  • Boiling Point: 275.3°C at 760 mmHg
  • Flash Point: 120.3°C
  • Refractive Index: 1.43
  • PSA: 60.16
  • LogP: -0.23900

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