5,6,7,8,9,10-Hexahydro-2-nitro-6,9-methanobenzocycloocten-11-one

Base Information

• Chemical Name: 5,6,7,8,9,10-Hexahydro-2-nitro-6,9-methanobenzocycloocten-11-one
• CAS No.: 82799-15-3
• Molecular Formula: C₁₃H₁₃NO₃
• Molecular Weight: 231.251
• DSSTox Substance ID: DTXSID401171672

Synonyms:82799-15-3;SCHEMBL4046495;ZGNGAFFWBUDNCA-UHFFFAOYSA-N;DTXSID401171672;5,6,7,8,9,10-Hexahydro-2-nitro-6,9-methanobenzocycloocten-11-one;5-nitro-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-13-one;2-nitro-5,6,7,8,9,10-hexahydro-6,9-methanobenzo[a][8]annulen-11-one

Chemical Property of 5,6,7,8,9,10-Hexahydro-2-nitro-6,9-methanobenzocycloocten-11-one

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 231.08954328
• Heavy Atom Count: 17
• Complexity: 349

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MSDS Files:

Useful:

• Canonical SMILES: C1CC2CC3=C(CC1C2=O)C=CC(=C3)[N+](=O)[O-]

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