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Benzoic acid, 3-methoxy-4-propoxythio-, O-ethyl ester

Base Information
  • Chemical Name:Benzoic acid, 3-methoxy-4-propoxythio-, O-ethyl ester
  • CAS No.:117666-91-8
  • Molecular Formula:C13H18 O3 S
  • Molecular Weight:254.3452
  • Hs Code.:
  • DSSTox Substance ID:DTXSID80151862
  • Wikidata:Q83018409
Benzoic acid, 3-methoxy-4-propoxythio-, O-ethyl ester

Synonyms:3-Methoxy-4-propoxythiobenzoic acid O-ethyl ester;Benzoic acid, 3-methoxy-4-propoxythio-, O-ethyl ester;Benzenecarbothioic acid, 3-methoxy-4-propoxy-, O-ethyl ester;117666-91-8;DTXSID80151862;LS-37851

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Chemical Property of Benzoic acid, 3-methoxy-4-propoxythio-, O-ethyl ester
Chemical Property:
  • Vapor Pressure:4.01E-06mmHg at 25°C 
  • Boiling Point:384.7°C at 760 mmHg 
  • Flash Point:272.2°C 
  • Density:1.094g/cm3 
  • XLogP3:3.6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:6
  • Exact Mass:254.09766561
  • Heavy Atom Count:17
  • Complexity:245
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCCOC1=C(C(=C(C=C1)C(=O)S)CC)OC
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