3-Oxa-1-azabicyclo[4.2.0]octan-8-one, 7-(1-hydroxyethyl)-2,2,5-trimethyl-, [5R-[5alpha,6beta,7beta(R*)]]-

Base Information

• Chemical Name: 3-Oxa-1-azabicyclo[4.2.0]octan-8-one, 7-(1-hydroxyethyl)-2,2,5-trimethyl-, [5R-[5alpha,6beta,7beta(R*)]]-
• CAS No.: 104420-08-8
• Molecular Formula: C₁₁H₁₉NO₃
• Molecular Weight: 213.277
• DSSTox Substance ID: DTXSID001117660

Synonyms:DTXSID001117660;104420-08-8;3-Oxa-1-azabicyclo[4.2.0]octan-8-one, 7-(1-hydroxyethyl)-2,2,5-trimethyl-, [5R-[5alpha,6beta,7beta(R*)]]-

Chemical Property of 3-Oxa-1-azabicyclo[4.2.0]octan-8-one, 7-(1-hydroxyethyl)-2,2,5-trimethyl-, [5R-[5alpha,6beta,7beta(R*)]]-

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 213.13649347
• Heavy Atom Count: 15
• Complexity: 290

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC1COC(N2C1C(C2=O)C(C)O)(C)C
• Isomeric SMILES: C[C@H]1COC(N2[C@H]1[C@H](C2=O)[C@@H](C)O)(C)C

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