2-Methoxy-5-(propan-2-yl)cyclohepta-2,4,6-trien-1-one

Base Information

• Chemical Name: 2-Methoxy-5-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
• CAS No.: 18448-53-8
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID70501892
• Nikkaji Number: J1.386.156K
• Mol file: 18448-53-8.mol

Synonyms:18448-53-8;SCHEMBL10430489;2-Methoxy-5-(propan-2-yl)cyclohepta-2,4,6-trien-1-one;DTXSID70501892

Chemical Property of 2-Methoxy-5-(propan-2-yl)cyclohepta-2,4,6-trien-1-one

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 293

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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