Monoperfluorooctyl itaconate

Base Information

• Chemical Name: Monoperfluorooctyl itaconate
• CAS No.: 230295-05-3
• Molecular Formula: C13H5F17O4
• Molecular Weight: 548.1492544
• DSSTox Substance ID: DTXSID20379982
• Wikidata: Q82170008
• Mol file: 230295-05-3.mol

Synonyms:Monoperfluorooctyl itaconate;230295-05-3;2-Methylene-4-oxo-4-[(perfluorooctyl)oxy]butanoic acid;DTXSID20379982;OHNVFWYDJQNNQO-UHFFFAOYSA-N;MFCD00080741

Chemical Property of Monoperfluorooctyl itaconate

Chemical Property:

• PSA: 63.60000
• LogP: 5.52740
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 11
• Exact Mass: 547.9916374
• Heavy Atom Count: 34
• Complexity: 826

Purity/Quality:

95% ^*data from raw suppliers

4-(Heptadecafluorooctyl) 2-methylidenebutanedionate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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