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[1-[2-(Diethylazaniumyl)ethyl]-2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Base Information
  • Chemical Name:[1-[2-(Diethylazaniumyl)ethyl]-2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
  • CAS No.:5729-12-4
  • Molecular Formula:C31H40N2O6
  • Molecular Weight:536.6591
  • Hs Code.:
  • DSSTox Substance ID:DTXSID30410895
[1-[2-(Diethylazaniumyl)ethyl]-2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Synonyms:5729-12-4;AC1NQD5W;DTXSID30410895

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Chemical Property of [1-[2-(Diethylazaniumyl)ethyl]-2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Chemical Property:
  • Vapor Pressure:8.62E-19mmHg at 25°C 
  • Boiling Point:668.7°C at 760 mmHg 
  • Flash Point:358.2°C 
  • Density:1.181g/cm3 
  • XLogP3:5.5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:12
  • Exact Mass:536.28863700
  • Heavy Atom Count:39
  • Complexity:873
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)[O-])C(=O)C(=O)N2CC[NH+](CC)CC)OCC
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