Cas no 90086-80-9 (Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde,oxime)

Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde,oxime structure
90086-80-9 structure
Product Name:Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde,oxime
CAS No:90086-80-9
MF:C8H11NO
MW:137.179042100906
CID:817122
PubChem ID:9649815
Update Time:2025-04-19

Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde,oxime Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde,oxime
    • bicyclo[2.2.1]hept-5-ene-2-carbaldehyde oxime
    • syn-bicyclo<2.2.1>hept-5-ene-2-endo-carboxaldehyde oxime
    • Bicyclo(2.2.1)hept-5-ene-2-carbaldehyde oxime
    • 90086-80-9
    • EINECS 290-205-3
    • Inchi: 1S/C8H11NO/c10-9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8,10H,3-4H2/b9-5+
    • InChI Key: YRJJACGAHQXMPD-WEVVVXLNSA-N
    • SMILES: O/N=C/C1CC2C=CC1C2

Computed Properties

  • Exact Mass: 137.08400
  • Monoisotopic Mass: 137.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 186
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 32.6?2

Experimental Properties

  • PSA: 32.59000
  • LogP: 1.65860
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