2-(2-Hex-1-ynylcyclohexyl)isoindole-1,3-dione

Base Information

• Chemical Name: 2-(2-Hex-1-ynylcyclohexyl)isoindole-1,3-dione
• CAS No.: 76-46-0
• Molecular Formula: C20H23NO2
• Molecular Weight: 309.4021
• DSSTox Substance ID: DTXSID20415859
• Mol file: 76-46-0.mol

Synonyms:2-(2-hex-1-ynylcyclohexyl)isoindole-1,3-dione;76-46-0;DTXSID20415859

Chemical Property of 2-(2-Hex-1-ynylcyclohexyl)isoindole-1,3-dione

Chemical Property:

• Boiling Point: 444.6 °C at 760 mmHg
• Flash Point: 184.3 °C
• Density: 1.16 g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 309.172878976
• Heavy Atom Count: 23
• Complexity: 502

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC#CC1CCCCC1N2C(=O)C3=CC=CC=C3C2=O