3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)-4-Methylbenzoic Acid
[CAS# 420101-13-9]

Identification

• Name: 3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)-4-Methylbenzoic Acid
• Synonyms: 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid; 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-methyl-benzoic acid; 3-(1,3-dioxobenzo[c]azolidin-2-yl)-4-methylbenzoic acid
• Molecular Formula: C₁₆H₁₁NO₄
• Molecular Weight: 281.26
• CAS Registry Number: 420101-13-9
• SMILES: O=C(O)c1cc(c(cc1)C)N3C(=O)c2ccccc2C3=O
• InChI: 1S/C16H11NO4/c1-9-6-7-10(16(20)21)8-13(9)17-14(18)11-4-2-3-5-12(11)15(17)19/h2-8H,1H3,(H,20,21)
• InChIKey: ANMZERJXLKKHDQ-UHFFFAOYSA-N

Properties

• Density: 1.438g/cm³ (Cal.)
• Boiling point: 534.613°C at 760 mmHg (Cal.)
• Flash point: 277.124°C (Cal.)
• Refractive index: 1.679 (Cal.)