1,4,4a,6,7,8a-Hexahydro-1,4-methanonaphthalene-5,8-dione

Base Information

• Chemical Name: 1,4,4a,6,7,8a-Hexahydro-1,4-methanonaphthalene-5,8-dione
• CAS No.: 21428-54-6
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.215
• DSSTox Substance ID: DTXSID00511146
• Nikkaji Number: J3.247.599J
• Mol file: 21428-54-6.mol

Synonyms:21428-54-6;SCHEMBL15203373;DTXSID00511146;1,4,4a,6,7,8a-Hexahydro-1,4-methanonaphthalene-5,8-dione

Chemical Property of 1,4,4a,6,7,8a-Hexahydro-1,4-methanonaphthalene-5,8-dione

Chemical Property:

• PSA: 34.14000
• LogP: 1.35670
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 286

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MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)C2C3CC(C2C1=O)C=C3

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