alpha-Methyl-2-(3,4-Methylenedioxyphenyl)-5-Benzoxazoleacetic Acid
[CAS# 51234-64-1]

Identification

• Name: alpha-Methyl-2-(3,4-Methylenedioxyphenyl)-5-Benzoxazoleacetic Acid
• Synonyms: 2-[2-(1,3-Benzodioxol-5-Yl)-1,3-Benzoxazol-5-Yl]Propionic Acid; 5-Benzoxazoleacetic Acid, Alpha-Methyl-2-(3,4-Methylenedioxyphenyl)-; Brn 0567987
• Molecular Formula: C₁₇H₁₃NO₅
• Molecular Weight: 311.29
• CAS Registry Number: 51234-64-1
• SMILES: C3=C(C1=NC2=C(O1)C=CC(=C2)C(C(O)=O)C)C=CC4=C3OCO4
• InChI: 1S/C17H13NO5/c1-9(17(19)20)10-2-4-13-12(6-10)18-16(23-13)11-3-5-14-15(7-11)22-8-21-14/h2-7,9H,8H2,1H3,(H,19,20)
• InChIKey: GYPZUNUCQUOPSL-UHFFFAOYSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 476.261°C at 760 mmHg (Cal.)
• Flash point: 241.834°C (Cal.)