4-Benzoyl-5-Methyl-3-Isoxazolecarboxylic Acid Ethyl Ester
[CAS# 17335-06-7]

Identification

• Name: 4-Benzoyl-5-Methyl-3-Isoxazolecarboxylic Acid Ethyl Ester
• Synonyms: Ethyl 4-(Benzoyl)-5-Methyl-Isoxazole-3-Carboxylate; 5-Methyl-4-(Oxo-Phenylmethyl)-3-Isoxazolecarboxylic Acid Ethyl Ester; 4-(Benzoyl)-5-Methyl-Isoxazole-3-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₁₄H₁₃NO₄
• Molecular Weight: 259.26
• CAS Registry Number: 17335-06-7
• SMILES: C2=C(C(C1=C(ON=C1C(=O)OCC)C)=O)C=CC=C2
• InChI: 1S/C14H13NO4/c1-3-18-14(17)12-11(9(2)19-15-12)13(16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
• InChIKey: MIRRVOUGVODFOY-UHFFFAOYSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 373.163°C at 760 mmHg (Cal.)
• Flash point: 179.483°C (Cal.)