Cas no 16357-82-7 (6-oxo-1,6-dihydropyrimidine-5-carbaldehyde)

6-oxo-1,6-dihydropyrimidine-5-carbaldehyde structure
16357-82-7 structure
Product Name:6-oxo-1,6-dihydropyrimidine-5-carbaldehyde
CAS No:16357-82-7
MF:C5H4N2O2
MW:124.097460746765
MDL:MFCD16988393
CID:121613
Update Time:2024-01-24

6-oxo-1,6-dihydropyrimidine-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarboxaldehyde,1,6-dihydro-6-oxo-
    • 5-Pyrimidinecarboxaldehyde, 4-hydroxy- (8CI)
    • 6-oxo-1H-pyrimidine-5-carbaldehyde
    • 6-oxo-1,6-dihydropyrimidine-5-carbaldehyde
    • 5-Pyrimidinecarboxaldehyde, 1,6-dihydro-6-oxo-
    • MDL: MFCD16988393
    • Inchi: 1S/C5H4N2O2/c8-2-4-1-6-3-7-5(4)9/h1-3H,(H,6,7,9)
    • InChI Key: NRFQMISRZICFNW-UHFFFAOYSA-N
    • SMILES: C1NC(=O)C(C=O)=CN=1

Computed Properties

  • Exact Mass: 124.02732
  • Monoisotopic Mass: 124.027
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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
  • Topological Polar Surface Area: 58.5A^2

Experimental Properties

  • Density: 1.40±0.1 g/cm3(Predicted)
  • PSA: 63.08
  • pka: 7.79±0.40(Predicted)

6-oxo-1,6-dihydropyrimidine-5-carbaldehyde Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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Enamine
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Enamine
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