alpha-Methyl-3-Phenyl-1,2-Benzisoxazole-7-Acetic Acid
[CAS# 71825-18-8]

Identification

• Name: alpha-Methyl-3-Phenyl-1,2-Benzisoxazole-7-Acetic Acid
• Synonyms: 2-(3-Phenylindoxazen-7-Yl)Propionic Acid; 1,2-Benzisoxazole-7-Acetic Acid, Alpha-Methyl-3-Phenyl-; Brn 1002105
• Molecular Formula: C₁₆H₁₃NO₃
• Molecular Weight: 267.28
• CAS Registry Number: 71825-18-8
• SMILES: C1=C(C2=C(C=C1)C(=NO2)C3=CC=CC=C3)C(C(O)=O)C
• InChI: 1S/C16H13NO3/c1-10(16(18)19)12-8-5-9-13-14(17-20-15(12)13)11-6-3-2-4-7-11/h2-10H,1H3,(H,18,19)
• InChIKey: LFRGBRILBOKUIC-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 481.583°C at 760 mmHg (Cal.)
• Flash point: 245.053°C (Cal.)