(9Z)-4,4,7-trimethyl-1-oxacycloundec-9-ene-2,6-dione

Base Information

• Chemical Name: (9Z)-4,4,7-trimethyl-1-oxacycloundec-9-ene-2,6-dione
• CAS No.: 85289-16-3
• Molecular Formula: C13H20O3
• Molecular Weight: 224.2961
• NSC Number: 278034
• DSSTox Substance ID: DTXSID90418478

Synonyms:NSC278034;85289-16-3;DTXSID90418478;NSC-278034

Chemical Property of (9Z)-4,4,7-trimethyl-1-oxacycloundec-9-ene-2,6-dione

Chemical Property:

• Vapor Pressure: 1.55E-05mmHg at 25°C
• Boiling Point: 365.6°C at 760 mmHg
• Flash Point: 161.2°C
• Density: 0.971g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 224.14124450
• Heavy Atom Count: 16
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC=CCOC(=O)CC(CC1=O)(C)C
• Isomeric SMILES: CC1C/C=C\COC(=O)CC(CC1=O)(C)C

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