Cas no 85909-53-1 (octahydro-4,7-methano-1H-indene-5-methyl acetate)

octahydro-4,7-methano-1H-indene-5-methyl acetate structure
85909-53-1 structure
Product Name:octahydro-4,7-methano-1H-indene-5-methyl acetate
CAS No:85909-53-1
MF:C13H20O2
MW:362.61552g/mol
CID:730210
PubChem ID:102269130
Update Time:2024-03-01

octahydro-4,7-methano-1H-indene-5-methyl acetate Chemical and Physical Properties

Names and Identifiers

    • 4,7-Methano-1H-indene-5-methanol,octahydro-, 5-acetate
    • Octahydro-4,7-methano-1H-indene-5-methyl acetate
    • Acetic acid (octahydro4,7-methano-1H-inden)-5-ylmethyl ester
    • CID 102269130
    • Einecs 288-857-9
    • octahydro-4,7-methano-1H-indene-5-methyl acetate
    • Inchi: 1S/C13H20O2/c1-8(14)15-7-10-5-9-6-13(10)12-4-2-3-11(9)12/h9-13H,2-7H2,1H3
    • InChI Key: NZRPNXAEGFLETH-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)CC1CC2CC1C1CCCC12

Computed Properties

  • Exact Mass: 362.27557
  • Monoisotopic Mass: 362.27557
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 274
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3
  • XLogP3: 3.2
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