Cas no 4829-01-0 (1-phenyl-7-oxa-bicyclo[4.1.0]heptane)

1-phenyl-7-oxa-bicyclo[4.1.0]heptane structure
4829-01-0 structure
Product Name:1-phenyl-7-oxa-bicyclo[4.1.0]heptane
CAS No:4829-01-0
MF:C12H14O
MW:174.238963603973
CID:931877
PubChem ID:100193
Update Time:2025-04-19

1-phenyl-7-oxa-bicyclo[4.1.0]heptane Chemical and Physical Properties

Names and Identifiers

    • 1-phenyl-7-oxa-bicyclo[4.1.0]heptane
    • 6-phenyl-7-oxabicyclo[4.1.0]heptane
    • (+/-)-1-phenylcyclohexene oxide
    • 1,2-epoxy-1-phenylcyclohexane
    • 1-phenyl-1,2-cyclohexene oxide
    • 1-phenyl-1,2-epoxycyclohexane
    • 1-phenyl-1-cyclohexene epoxide
    • NSC363760
    • NSC 363760
    • 1-phenyl-7-oxabicyclo[4.1.0]heptane
    • Phenyl Cyclohexene Oxide
    • DTXSID20964039
    • DUDYJVLITCQGCP-UHFFFAOYSA-N
    • 4829-01-0
    • 1-phenylcyclohex-1-ene oxide
    • 1-phenylcyclohex-l-ene oxide
    • AKOS006290581
    • 7-Oxabicyclo(4.1.0)heptane, 1-phenyl-
    • 1-phenylcyclohexene oxide
    • SCHEMBL2220242
    • NSC-363760
    • Inchi: 1S/C12H14O/c1-2-6-10(7-3-1)12-9-5-4-8-11(12)13-12/h1-3,6-7,11H,4-5,8-9H2
    • InChI Key: DUDYJVLITCQGCP-UHFFFAOYSA-N
    • SMILES: O1C2CCCCC12C1C=CC=CC=1

Computed Properties

  • Exact Mass: 174.10400
  • Monoisotopic Mass: 174.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 195
  • 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: 2.5
  • Topological Polar Surface Area: 12.5?2

Experimental Properties

  • PSA: 12.53000
  • LogP: 2.85470
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