Cas no 102073-01-8 (Bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxaldehyde)

Bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxaldehyde structure
102073-01-8 structure
Product Name:Bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxaldehyde
CAS No:102073-01-8
MF:C8H6O
MW:118.132642269135
CID:1135067
PubChem ID:71332736
Update Time:2025-04-20

Bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxaldehyde
    • bicyclo[4.1.0]hepta-1,3,5-triene-7-carbaldehyde
    • DTXSID80761122
    • 102073-01-8
    • Inchi: 1S/C8H6O/c9-5-8-6-3-1-2-4-7(6)8/h1-5,8H
    • InChI Key: WXVJWTWNRDFBKT-UHFFFAOYSA-N
    • SMILES: O=CC1C2C=CC=CC1=2

Computed Properties

  • Exact Mass: 118.04188
  • Monoisotopic Mass: 118.041864811g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 119
  • 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: 0.6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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