(1R,7aR)-1,4-Dihydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one

Base Information

• Chemical Name: (1R,7aR)-1,4-Dihydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one
• CAS No.: 74869-13-9
• Molecular Formula: C₁₀H₁₄O₃
• Molecular Weight: 182.219
• DSSTox Substance ID: DTXSID50511919
• Wikidata: Q82370945

Synonyms:74869-13-9;DTXSID50511919;(1R,7aR)-1,4-Dihydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one

Chemical Property of (1R,7aR)-1,4-Dihydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 293

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C(=C1CCC2O)O
• Isomeric SMILES: C[C@@]12CCC(=O)C(=C1CC[C@H]2O)O

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