1-tert-Butoxy-7a-methyl-5-oxo-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboxylic acid

Base Information

• Chemical Name: 1-tert-Butoxy-7a-methyl-5-oxo-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboxylic acid
• CAS No.: 27510-27-6
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.337
• DSSTox Substance ID: DTXSID901112500

Synonyms:SCHEMBL2547846;DTXSID901112500;1-tert-Butoxy-7a-methyl-5-oxo-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboxylic acid;27510-27-6;31944-51-1;rel-(1R,7aR)-1-(1,1-Dimethylethoxy)-2,3,5,6,7,7a-hexahydro-7a-methyl-5-oxo-1H-indene-4-carboxylic acid

Chemical Property of 1-tert-Butoxy-7a-methyl-5-oxo-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboxylic acid

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 266.15180918
• Heavy Atom Count: 19
• Complexity: 455

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC12CCC(=O)C(=C1CCC2OC(C)(C)C)C(=O)O
• Isomeric SMILES: C[C@@]12CCC(=O)C(=C1CC[C@H]2OC(C)(C)C)C(=O)O

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