3-(1-Cyanoethyl)benzoic acid - CAS 5537-71-3

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  • Chemical Structure
  • General Information
  • Catalog: BB029015
  • Product Name: 3-(1-Cyanoethyl)benzoic acid
  • CAS: 5537-71-3
  • Synonyms: 3-(1-cyanoethyl)benzoic acid
  • Molecular Weight: 175.18
  • Molecular Formula: C10H9NO2
  • Canonical SMILES: CC(C#N)C1=CC=CC(=C1)C(=O)O
  • InChI: InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)
  • InChI Key: IRYIYPWRXROPSX-UHFFFAOYSA-N
  • Melting Point: 146-150˚C
  • Purity: > 95%
  • Appearance: solid
  • Description: a intermediate for the synthetic preparation of various pharmaceutical compounds.

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