3-Methyl-2-(1-Oxo-1,3-Dihydro-2H-Isoindol-2-Yl)Pentanoic Acid
[CAS# 180923-81-3]

Identification

• Name: 3-Methyl-2-(1-Oxo-1,3-Dihydro-2H-Isoindol-2-Yl)Pentanoic Acid
• Synonyms: 2H-ISOINDOLE-2-ACETICACID, 1,3-DIHYDRO-A-(1-METHYLPROPYL)-1-OXO-; 3-Methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl) pentanoic acid; 3-Methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoicacid
• Molecular Formula: C₁₄H₁₇NO₃
• Molecular Weight: 247.29
• CAS Registry Number: 180923-81-3
• SMILES: CCC(C)C(C(=O)O)N1CC2=CC=CC=C2C1=O
• InChI: 1S/C14H17NO3/c1-3-9(2)12(14(17)18)15-8-10-6-4-5-7-11(10)13(15)16/h4-7,9,12H,3,8H2,1-2H3,(H,17,18)
• InChIKey: SDNDNHOVHJTJPB-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 135-138°C (Expl.)
• Boiling point: 444.3±45.0°C at 760 mmHg (Cal.)
• Flash point: 222.5±28.7°C (Cal.)
• Refractive index: 1.573 (Cal.)

Safety Data

• Safety Description: IRRITANT