(1S,2S)-2-(1,3-Dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)cyclohexanecarboxylic acid
[CAS# 642995-16-2]

Identification

• Classification: Analytical chemistry >> Liquid chromatography >> HPLC labeling reagent
• Name: (1S,2S)-2-(1,3-Dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)cyclohexanecarboxylic acid
• Synonyms: (1S,2S)-2-(Naphthalene-2,3-dicarboximido)cyclohexanecarboxylic Acid
• Molecular Formula: C₁₉H₁₇NO₄
• Molecular Weight: 323.34
• CAS Registry Number: 642995-16-2
• SMILES: c1ccc2cc3c(cc2c1)C(=O)N(C3=O)[C@H]4CCCC[C@@H]4C(=O)O
• InChI: 1S/C19H17NO4/c21-17-14-9-11-5-1-2-6-12(11)10-15(14)18(22)20(17)16-8-4-3-7-13(16)19(23)24/h1-2,5-6,9-10,13,16H,3-4,7-8H2,(H,23,24)/t13-,16-/m0/s1
• InChIKey: RPVXICJCKYVHHZ-BBRMVZONSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 554.602°C at 760 mmHg (Cal.)
• Flash point: 289.213°C (Cal.)
• Refractive index: 1.688 (Cal.)