2-Acetyl-7-(methylamino)cyclohepta-2,4,6-trien-1-one

Base Information

• Chemical Name: 2-Acetyl-7-(methylamino)cyclohepta-2,4,6-trien-1-one
• CAS No.: 84860-85-5
• Molecular Formula: C₁₀H₁₁NO₂
• Molecular Weight: 177.203
• DSSTox Substance ID: DTXSID30510965

Synonyms:2-Acetyl-7-(methylamino)cyclohepta-2,4,6-trien-1-one;84860-85-5;DTXSID30510965

Chemical Property of 2-Acetyl-7-(methylamino)cyclohepta-2,4,6-trien-1-one

Chemical Property:

• PSA: 46.17000
• LogP: 1.36410
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 335

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C(C1=O)NC

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