(3aalpha)-1,5-Dioxo-7abeta-methylhydrindane-4alpha-propionic acid methyl ester

Base Information

• Chemical Name: (3aalpha)-1,5-Dioxo-7abeta-methylhydrindane-4alpha-propionic acid methyl ester
• CAS No.: 59005-87-7
• Molecular Formula: C₁₄H₂₀O₄
• Molecular Weight: 252.31
• DSSTox Substance ID: DTXSID301148565
• Nikkaji Number: J1.193.038G

Synonyms:DTXSID301148565;Methyl (3aS,4S,7aS)-octahydro-7a-methyl-1,5-dioxo-1H-indene-4-propanoate;(3aalpha)-1,5-Dioxo-7abeta-methylhydrindane-4alpha-propionic acid methyl ester;59005-87-7

Chemical Property of (3aalpha)-1,5-Dioxo-7abeta-methylhydrindane-4alpha-propionic acid methyl ester

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 252.13615911
• Heavy Atom Count: 18
• Complexity: 387

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MSDS Files:

Useful:

• Canonical SMILES: CC12CCC(=O)C(C1CCC2=O)CCC(=O)OC
• Isomeric SMILES: C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC(=O)OC

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