Cas no 63055-15-2 ((4aS,8aR)-Hexahydronaphthalene-1,3(2H,4H)-dione)

(4aS,8aR)-Hexahydronaphthalene-1,3(2H,4H)-dione structure
63055-15-2 structure
Product Name:(4aS,8aR)-Hexahydronaphthalene-1,3(2H,4H)-dione
CAS No:63055-15-2
MF:C10H14O2
MW:166.216963291168
CID:2843803
PubChem ID:71373449
Update Time:2025-04-21

(4aS,8aR)-Hexahydronaphthalene-1,3(2H,4H)-dione Chemical and Physical Properties

Names and Identifiers

    • 63055-15-2
    • DTXSID20796271
    • (4aS,8aR)-Hexahydronaphthalene-1,3(2H,4H)-dione
    • Inchi: 1S/C10H14O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h7,9H,1-6H2/t7-,9+/m0/s1
    • InChI Key: QHMIKDWRCOBYRY-IONNQARKSA-N
    • SMILES: O=C1CC(C[C@@H]2CCCC[C@H]21)=O

Computed Properties

  • Exact Mass: 166.099379685Da
  • Monoisotopic Mass: 166.099379685Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 220
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 34.1?2
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