Cas no 68757-94-8 (7,7-Dimethylbicyclo[2.2.1]hepta-2,5-diene)

7,7-Dimethylbicyclo[2.2.1]hepta-2,5-diene structure
68757-94-8 structure
Product Name:7,7-Dimethylbicyclo[2.2.1]hepta-2,5-diene
CAS No:68757-94-8
MF:C9H12
MW:120.191582679749
CID:2799069
PubChem ID:14455008
Update Time:2025-04-21

7,7-Dimethylbicyclo[2.2.1]hepta-2,5-diene Chemical and Physical Properties

Names and Identifiers

    • 68757-94-8
    • 7,7-Dimethylbicyclo[2.2.1]hepta-2,5-diene
    • DTXSID60560539
    • Inchi: 1S/C9H12/c1-9(2)7-3-4-8(9)6-5-7/h3-8H,1-2H3
    • InChI Key: QTWUNHIZBRJBGQ-UHFFFAOYSA-N
    • SMILES: C1(C)(C)C2C=CC1C=C2

Computed Properties

  • Exact Mass: 120.093900383g/mol
  • Monoisotopic Mass: 120.093900383g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 152
  • 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: 2.7
  • Topological Polar Surface Area: 0?2

7,7-Dimethylbicyclo[2.2.1]hepta-2,5-diene Related Literature

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