5-Acetyl-4,5,6,7-tetrahydro-1-benzofuran-4-one

Base Information

• Chemical Name: 5-Acetyl-4,5,6,7-tetrahydro-1-benzofuran-4-one
• CAS No.: 164531-76-4
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.188
• DSSTox Substance ID: DTXSID601273711

Synonyms:164531-76-4;5-acetyl-4,5,6,7-tetrahydro-1-benzofuran-4-one;DTXSID601273711;AKOS017515479;5-acetyl-6,7-dihydro-4(5H)-Benzofuranone;EN300-1126156

Chemical Property of 5-Acetyl-4,5,6,7-tetrahydro-1-benzofuran-4-one

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 247

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1CCC2=C(C1=O)C=CO2

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