2-(4-Tert-Butylphenyl)-alpha-Methyl-5-Benzoxazoleacetic Acid
[CAS# 54785-40-9]

Identification

• Name: 2-(4-Tert-Butylphenyl)-alpha-Methyl-5-Benzoxazoleacetic Acid
• Synonyms: 2-[2-(4-Tert-Butylphenyl)-1,3-Benzoxazol-5-Yl]Propionic Acid; 2-(4-Tert-Butylphenyl)-Alpha-Methyl-5-Benzoxazoleacetic Acid; 5-Benzoxazoleacetic Acid, 2-(4-Tert-Butylphenyl)-Alpha-Methyl-
• Molecular Formula: C₂₀H₂₁NO₃
• Molecular Weight: 323.39
• CAS Registry Number: 54785-40-9
• SMILES: C1=C(C=CC2=C1N=C(O2)C3=CC=C(C=C3)C(C)(C)C)C(C(O)=O)C
• InChI: 1S/C20H21NO3/c1-12(19(22)23)14-7-10-17-16(11-14)21-18(24-17)13-5-8-15(9-6-13)20(2,3)4/h5-12H,1-4H3,(H,22,23)
• InChIKey: TXNPKAZVKAHXGK-UHFFFAOYSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 452.288°C at 760 mmHg (Cal.)
• Flash point: 227.336°C (Cal.)