2-(1-Oxo-1,3-Dihydro-2H-Isoindol-2-Yl)-3-Phenylpropanoic Acid
[CAS# 96017-10-6]

Identification

• Name: 2-(1-Oxo-1,3-Dihydro-2H-Isoindol-2-Yl)-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-(1-Oxoisoindolin-2-Yl)-3-Phenyl-Propanoate; (2S)-2-(1-Oxo-2-Isoindolinyl)-3-Phenylpropanoate; (2S)-2-(1-Ketoisoindolin-2-Yl)-3-Phenyl-Propionate
• Molecular Formula: C₁₇H₁₄NO₃
• Molecular Weight: 280.30
• CAS Registry Number: 96017-10-6
• SMILES: [C@H](N2CC1=CC=CC=C1C2=O)(CC3=CC=CC=C3)C([O-])=O
• InChI: 1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(16)15(17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)/p-1/t15-/m0/s1
• InChIKey: FZEBPJBRDFXKIH-HNNXBMFYSA-M

Properties

• Boiling point: 516.477°C at 760 mmHg (Cal.)
• Flash point: 266.156°C (Cal.)