Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate

Base Information

• Chemical Name: Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate
• CAS No.: 192436-84-3
• Molecular Formula: C₁₀H₁₇NO₂
• Molecular Weight: 183.25
• DSSTox Substance ID: DTXSID901215596
• Nikkaji Number: J2.627.814G

Synonyms:Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate;192436-84-3;methyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate;SCHEMBL5746482;OITFEJDUSSGRIH-CIUDSAMLSA-N;DTXSID901215596;BS-31935;EN300-1666634;Methyl(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate;(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid methyl ester

Chemical Property of Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.125928785
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1CC2CCCCC2N1
• Isomeric SMILES: COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1

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