(6S,7aR)-Hexahydro-6-hydroxy-4,4,7a-trimethyl-2(3H)-benzofuranone

Base Information

• Chemical Name: (6S,7aR)-Hexahydro-6-hydroxy-4,4,7a-trimethyl-2(3H)-benzofuranone
• CAS No.: 1133-01-3
• Molecular Formula: C₁₁H₁₈O₃
• Molecular Weight: 198.262
• DSSTox Substance ID: DTXSID601167087

Synonyms:DTXSID601167087;(6S,7aR)-Hexahydro-6-hydroxy-4,4,7a-trimethyl-2(3H)-benzofuranone;1133-01-3

Chemical Property of (6S,7aR)-Hexahydro-6-hydroxy-4,4,7a-trimethyl-2(3H)-benzofuranone

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 198.125594432
• Heavy Atom Count: 14
• Complexity: 272

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(CC2(C1CC(=O)O2)C)O)C
• Isomeric SMILES: C[C@@]12C[C@H](CC(C1CC(=O)O2)(C)C)O

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