2-[3-(4-Methylphenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid
[CAS# 86818-31-7]

Identification

• Name: 2-[3-(4-Methylphenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid
• Synonyms: 2H-1,4-Benzoxazine-6-acetic acid, α-methyl-3-(4-methylphenyl)-; α-Methyl-3-(4-methylphenyl)-2H-1,4-benzoxazine-6-acetic acid
• Molecular Formula: C₁₈H₁₇NO₃
• Molecular Weight: 295.33
• CAS Registry Number: 86818-31-7
• SMILES: O=C(O)C(c2ccc1OCC(=N\c1c2)/c3ccc(cc3)C)C
• InChI: 1S/C18H17NO3/c1-11-3-5-13(6-4-11)16-10-22-17-8-7-14(9-15(17)19-16)12(2)18(20)21/h3-9,12H,10H2,1-2H3,(H,20,21)
• InChIKey: NLXCEQCSTMSGEX-UHFFFAOYSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 473.375°C at 760 mmHg (Cal.)
• Flash point: 240.089°C (Cal.)