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2-[Cyano(hydroxy)acetyl]benzoic acid

Base Information
  • Chemical Name:2-[Cyano(hydroxy)acetyl]benzoic acid
  • CAS No.:618381-16-1
  • Molecular Formula:C10H7NO4
  • Molecular Weight:205.16700
  • Hs Code.:
  • DSSTox Substance ID:DTXSID40708250
2-[Cyano(hydroxy)acetyl]benzoic acid

Synonyms:2-[Cyano(hydroxy)acetyl]benzoic acid;618381-16-1;DTXSID40708250;2-(2-cyano-2-hydroxy-acetyl)-benzoic acid

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Chemical Property of 2-[Cyano(hydroxy)acetyl]benzoic acid
Chemical Property:
  • Melting Point:158 °C 
  • Boiling Point:482.5±40.0 °C(Predicted) 
  • PSA:98.39000 
  • Density:1.452±0.06 g/cm3(Predicted) 
  • LogP:0.45198 
  • XLogP3:0.1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:3
  • Exact Mass:205.03750770
  • Heavy Atom Count:15
  • Complexity:317
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC=C(C(=C1)C(=O)C(C#N)O)C(=O)O
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