Spiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4'-carboxylic acid, hexahydro-5'-hydroxy-, methyl ester, [3'aS-(3'aalpha,4'alpha,5'beta,6'aalpha)]-

Base Information

• Chemical Name: Spiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4'-carboxylic acid, hexahydro-5'-hydroxy-, methyl ester, [3'aS-(3'aalpha,4'alpha,5'beta,6'aalpha)]-
• CAS No.: 69552-48-3
• Molecular Formula: C₁₂H₁₈O₅
• Molecular Weight: 242.272
• DSSTox Substance ID: DTXSID101103622

Synonyms:SCHEMBL9729560;DTXSID101103622;69552-48-3;Spiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4'-carboxylic acid, hexahydro-5'-hydroxy-, methyl ester, [3'aS-(3'aalpha,4'alpha,5'beta,6'aalpha)]-

Chemical Property of Spiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4'-carboxylic acid, hexahydro-5'-hydroxy-, methyl ester, [3'aS-(3'aalpha,4'alpha,5'beta,6'aalpha)]-

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 242.11542367
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1C(CC2C1CC3(C2)OCCO3)O
• Isomeric SMILES: COC(=O)[C@H]1[C@@H](C[C@H]2[C@@H]1CC3(C2)OCCO3)O

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