Cas no 512791-35-4 (Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-ethenyl-, (1R,2S,3R,4S)-rel- (9CI))

Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-ethenyl-, (1R,2S,3R,4S)-rel- (9CI) structure
512791-35-4 structure
Product Name:Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-ethenyl-, (1R,2S,3R,4S)-rel- (9CI)
CAS No:512791-35-4
MF:C10H12O
MW:148.201683044434
CID:935078
PubChem ID:130990440
Update Time:2025-04-19

Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-ethenyl-, (1R,2S,3R,4S)-rel- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-ethenyl-, (1R,2S,3R,4S)-rel- (9CI)
    • (1R,2s,3r,4s)-3-vinylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
    • DB-246705
    • 512791-35-4
    • Inchi: 1S/C10H12O/c1-2-9-7-3-4-8(5-7)10(9)6-11/h2-4,6-10H,1,5H2/t7-,8+,9-,10+/m1/s1
    • InChI Key: AESZBCKIHDZYNF-RGOKHQFPSA-N
    • SMILES: O=C[C@@H]1[C@H](C=C)[C@@H]2C=C[C@H]1C2

Computed Properties

  • Exact Mass: 148.088815002g/mol
  • Monoisotopic Mass: 148.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 217
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 17.1?2
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