Cas no 15391-62-5 (5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro-)

5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro- structure
15391-62-5 structure
Product Name:5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro-
CAS No:15391-62-5
MF:C12H14
MW:158.239563465118
CID:165279
PubChem ID:139930
Update Time:2025-04-19

5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro- Chemical and Physical Properties

Names and Identifiers

    • 5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro-
    • benzo<6,7>bicyclo<3.2.1>octa-6-diene
    • DTXSID00934876
    • 15391-62-5
    • 5,9-Methano-5H-benzocycloheptene, 6,7,8,9-tetrahydro-
    • 6,7,8,9-tetrahydro-5H-5,9-methanobenzo[7]annulene
    • Inchi: 1S/C12H14/c1-2-7-12-10-5-3-4-9(8-10)11(12)6-1/h1-2,6-7,9-10H,3-5,8H2
    • InChI Key: ZFJANHNOMPZUJM-UHFFFAOYSA-N
    • SMILES: C12C3C=CC=CC=3C(CCC1)C2

Computed Properties

  • Exact Mass: 158.10962
  • Monoisotopic Mass: 158.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.035
  • Boiling Point: 250.2°Cat760mmHg
  • Flash Point: 97.7°C
  • Refractive Index: 1.572
  • PSA: 0
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