3a,4,7,7a-Tetrahydro-3-methoxy-4,7-methano-1H-inden-1-one

Base Information

• Chemical Name: 3a,4,7,7a-Tetrahydro-3-methoxy-4,7-methano-1H-inden-1-one
• CAS No.: 91142-59-5
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.215
• DSSTox Substance ID: DTXSID001197763

Synonyms:3a,4,7,7a-Tetrahydro-3-methoxy-4,7-methano-1H-inden-1-one;DTXSID001197763;91142-59-5

Chemical Property of 3a,4,7,7a-Tetrahydro-3-methoxy-4,7-methano-1H-inden-1-one

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 327

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• Canonical SMILES: COC1=CC(=O)C2C1C3CC2C=C3

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