rel-(1R,4R,5S)-4-Hydroxy-2-oxabicyclo[3.2.1]octan-3-one

Base Information

• Chemical Name: rel-(1R,4R,5S)-4-Hydroxy-2-oxabicyclo[3.2.1]octan-3-one
• CAS No.: 111917-75-0
• Molecular Formula: C₇H₁₀O₃
• Molecular Weight: 142.155
• DSSTox Substance ID: DTXSID001206310

Synonyms:DTXSID001206310;rel-(1R,4R,5S)-4-Hydroxy-2-oxabicyclo[3.2.1]octan-3-one;111917-75-0

Chemical Property of rel-(1R,4R,5S)-4-Hydroxy-2-oxabicyclo[3.2.1]octan-3-one

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 142.062994177
• Heavy Atom Count: 10
• Complexity: 166

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MSDS Files:

Useful:

• Canonical SMILES: C1CC2CC1C(C(=O)O2)O
• Isomeric SMILES: C1C[C@@H]2C[C@H]1[C@H](C(=O)O2)O

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