(2R)-2-[4-(3-Oxo-1H-Isoindol-2-Yl)Phenyl]Butanoic Acid
[CAS# 36690-96-7]

Identification

• Name: (2R)-2-[4-(3-Oxo-1H-Isoindol-2-Yl)Phenyl]Butanoic Acid
• Synonyms: (2R)-2-[4-(1-Oxoisoindolin-2-Yl)Phenyl]Butanoic Acid; (2R)-2-[4-(1-Oxo-2-Isoindolinyl)Phenyl]Butanoic Acid; (2R)-2-[4-(1-Ketoisoindolin-2-Yl)Phenyl]Butyric Acid
• Molecular Formula: C₁₈H₁₇NO₃
• Molecular Weight: 295.34
• CAS Registry Number: 36690-96-7
• SMILES: [C@@H](C3=CC=C(N1C(C2=C(C1)C=CC=C2)=O)C=C3)(C(O)=O)CC
• InChI: 1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)/t15-/m1/s1
• InChIKey: AYDXAULLCROVIT-OAHLLOKOSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 518.056°C at 760 mmHg (Cal.)
• Flash point: 267.111°C (Cal.)