2-(2-Hydroxy-4-Pyrrolidinylbenzoyl)Benzoic Acid
[CAS# 49742-68-9]

Identification

• Name: 2-(2-Hydroxy-4-Pyrrolidinylbenzoyl)Benzoic Acid
• Synonyms: 2-(2-Hydroxy-4-Pyrrolidin-1-Yl-Benzoyl)Benzoic Acid; 2-[(2-Hydroxy-4-1-Pyrrolidinylphenyl)-Oxomethyl]Benzoic Acid; 2-(2-Hydroxy-4-Pyrrolidin-1-Yl-Phenyl)Carbonylbenzoic Acid
• Molecular Formula: C₁₈H₁₇NO₄
• Molecular Weight: 311.34
• CAS Registry Number: 49742-68-9
• EINECS: 256-455-2
• SMILES: C1=C(C(=CC=C1N2CCCC2)C(C3=CC=CC=C3C(=O)O)=O)O
• InChI: 1S/C18H17NO4/c20-16-11-12(19-9-3-4-10-19)7-8-15(16)17(21)13-5-1-2-6-14(13)18(22)23/h1-2,5-8,11,20H,3-4,9-10H2,(H,22,23)
• InChIKey: XUYADCDXDRMDEV-UHFFFAOYSA-N

Properties

• Density: 1.336g/cm³ (Cal.)
• Boiling point: 573.758°C at 760 mmHg (Cal.)
• Flash point: 300.798°C (Cal.)

References

• (1): Yun-Long Gao and Jian-Wu Wang . 2-[2-Hydroxy-4-(pyrrolidin-1-yl)benzoyl]benzoic acid , Acta Cryst (2009). E65, o936Â Â