2-[(3-Methyl-2-buten-1-yl)oxy]-2,4,6-cycloheptatrien-1-one

Base Information

• Chemical Name: 2-[(3-Methyl-2-buten-1-yl)oxy]-2,4,6-cycloheptatrien-1-one
• CAS No.: 50904-09-1
• Molecular Formula: C₁₂H₁₄O₂
• Molecular Weight: 190.242
• DSSTox Substance ID: DTXSID201192983
• Nikkaji Number: J1.300.454D
• Mol file: 50904-09-1.mol

Synonyms:DTXSID201192983;50904-09-1;2-[(3-Methyl-2-buten-1-yl)oxy]-2,4,6-cycloheptatrien-1-one

Chemical Property of 2-[(3-Methyl-2-buten-1-yl)oxy]-2,4,6-cycloheptatrien-1-one

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 326

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCOC1=CC=CC=CC1=O)C