2-[(3-Oxo-1-Cyclohexen-1-Yl)Amino]Benzoic Acid
[CAS# 132600-13-6]

Identification

• Name: 2-[(3-Oxo-1-Cyclohexen-1-Yl)Amino]Benzoic Acid
• Synonyms: 2-((3-Oxocyclohex-1-enyl)amino)benzoic acid; 2-[(3-oxocyclohex-1-enyl)amino]benzoic acid; MFCD00129280
• Molecular Formula: C₁₃H₁₃NO₃
• Molecular Weight: 231.25
• CAS Registry Number: 132600-13-6
• SMILES: O=C2\C=C(\Nc1ccccc1C(=O)O)CCC2
• InChI: 1S/C13H13NO3/c15-10-5-3-4-9(8-10)14-12-7-2-1-6-11(12)13(16)17/h1-2,6-8,14H,3-5H2,(H,16,17)
• InChIKey: YFMAYMKMNUQNBC-UHFFFAOYSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Melting point: 194-196°C (Expl.)
• Boiling point: 426.465°C at 760 mmHg (Cal.)
• Flash point: 211.719°C (Cal.)
• Refractive index: 1.662 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): F. T. Vieira, D. C. Menezes, G. M. de Lima and N. L. Speziali. 2-(3-Oxocyclohex-1-enyl)benzoic acid, Acta Cryst. (2007). E63, o3376