Cas no 3690-89-9 ( )

  structure
  structure
Product Name: 
CAS No:3690-89-9
MF:C5H8N2O3
MW:144.128621101379
CID:921755
PubChem ID:351822
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 6-oxo-1,3-diazinane-4-carboxylic acid
    • 6-oxohexahydropyrimidine-4-carboxylic
    • SCHEMBL8543714
    • AKOS000277052
    • 3690-89-9
    • NSC-523469
    • NSC523469
    • DTXSID90326064
    •  
    • Inchi: 1S/C5H8N2O3/c8-4-1-3(5(9)10)6-2-7-4/h3,6H,1-2H2,(H,7,8)(H,9,10)
    • InChI Key: JOWJMUVVUZISTB-UHFFFAOYSA-N
    • SMILES: O=C1CC(C(=O)O)NCN1

Computed Properties

  • Exact Mass: 144.05354
  • Monoisotopic Mass: 144.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.7
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • PSA: 78.43
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