triethyl (E)-1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate

Base Information

• Chemical Name: triethyl (E)-1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate
• CAS No.: 1977-65-7
• Molecular Formula: C13H16FNO6
• Molecular Weight: 301.2676
• NSC Number: 41604
• DSSTox Substance ID: DTXSID20417999

Synonyms:NSC41604;1977-65-7;DTXSID20417999;NSC-41604

Chemical Property of triethyl (E)-1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate

Chemical Property:

• Vapor Pressure: 3.85E-07mmHg at 25°C
• Boiling Point: 416.4°C at 760 mmHg
• Flash Point: 205.6°C
• Density: 1.224g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 301.09616539
• Heavy Atom Count: 21
• Complexity: 490

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=C(C#N)C(=O)OCC)C(=O)OCC)F
• Isomeric SMILES: CCOC(=O)C(/C(=C(\C#N)/C(=O)OCC)/C(=O)OCC)F

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