Cas no 65848-45-5 (1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI))

1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI) structure
65848-45-5 structure
Product Name:1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI)
CAS No:65848-45-5
MF:C7H11NO2
MW:141.167742013931
CID:851890
PubChem ID:12939450
Update Time:2025-04-19

1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI)
    • 2-oxoazepane-1-carbaldehyde
    • Inchi: 1S/C7H11NO2/c9-6-8-5-3-1-2-4-7(8)10/h6H,1-5H2
    • InChI Key: JXBZNUBZEPHBIC-UHFFFAOYSA-N
    • SMILES: O=C1CCCCCN1C=O

Computed Properties

  • Exact Mass: 141.078978594g/mol
  • Monoisotopic Mass: 141.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 145
  • 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
  • XLogP3: 0.3
  • Topological Polar Surface Area: 37.4?2
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