Cas no 1260831-28-4 (4-(3-oxomorpholin-4-yl)benzaldehyde)

4-(3-oxomorpholin-4-yl)benzaldehyde structure
1260831-28-4 structure
Product Name:4-(3-oxomorpholin-4-yl)benzaldehyde
CAS No:1260831-28-4
MF:C11H11NO3
MW:205.21
CID:2101469
PubChem ID:84040410
Update Time:2024-11-04

4-(3-oxomorpholin-4-yl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-(3-oxomorpholino)benzaldehyde
    • CID 84040410
    • 4-(3-oxomorpholin-4-yl)benzaldehyde
    • Benzaldehyde, 4-(3-oxo-4-morpholinyl)-
    • 1260831-28-4
    • G90561
    • Inchi: 1S/C11H11NO3/c13-7-9-1-3-10(4-2-9)12-5-6-15-8-11(12)14/h1-4,7H,5-6,8H2
    • InChI Key: AUWLULXFCNLVFN-UHFFFAOYSA-N
    • SMILES: O1CC(N(C2C=CC(C=O)=CC=2)CC1)=O

Computed Properties

  • Exact Mass: 205.07389321g/mol
  • Monoisotopic Mass: 205.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 246
  • 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: 46.6
  • XLogP3: 0.4

Experimental Properties

  • Density: 1.275±0.06 g/cm3(Predicted)
  • Boiling Point: 492.9±40.0 °C(Predicted)
  • pka: -3.06±0.20(Predicted)

4-(3-oxomorpholin-4-yl)benzaldehyde Pricemore >>

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