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1beta-tert-Butoxy-7abeta-methyl-1,2,3,6,7,7a-hexahydro-5H-indene-5-one

Base Information
  • Chemical Name:1beta-tert-Butoxy-7abeta-methyl-1,2,3,6,7,7a-hexahydro-5H-indene-5-one
  • CAS No.:39765-89-4
  • Molecular Formula:C14H22O2
  • Molecular Weight:222.327
  • Hs Code.:
  • DSSTox Substance ID:DTXSID401130525
  • Nikkaji Number:J329.583D
1beta-tert-Butoxy-7abeta-methyl-1,2,3,6,7,7a-hexahydro-5H-indene-5-one

Synonyms:SCHEMBL11337412;DTXSID401130525;1beta-tert-Butoxy-7abeta-methyl-1,2,3,6,7,7a-hexahydro-5H-indene-5-one;rel-(1R,7aR)-1-(1,1-Dimethylethoxy)-1,2,3,6,7,7a-hexahydro-7a-methyl-5H-inden-5-one;39765-89-4

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Chemical Property of 1beta-tert-Butoxy-7abeta-methyl-1,2,3,6,7,7a-hexahydro-5H-indene-5-one
Chemical Property:
  • XLogP3:2.1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:2
  • Exact Mass:222.161979940
  • Heavy Atom Count:16
  • Complexity:335
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MSDS Files:
Useful:
  • Canonical SMILES:CC12CCC(=O)C=C1CCC2OC(C)(C)C
  • Isomeric SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]2OC(C)(C)C
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