3-Phenyl-5-Isoxazolecarboxylic Acid
[CAS# 14442-12-7]

Identification

• Name: 3-Phenyl-5-Isoxazolecarboxylic Acid
• Synonyms: 3-Phenylisoxazole-5-Carboxylate; 3-Phenyl-5-Isoxazolecarboxylate; Zinc00167630
• Molecular Formula: C₁₀H₆NO₃
• Molecular Weight: 188.16
• CAS Registry Number: 14442-12-7
• SMILES: C1=C(ON=C1C2=CC=CC=C2)C([O-])=O
• InChI: 1S/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)/p-1
• InChIKey: YGTFDJRCCBKLDM-UHFFFAOYSA-M

Properties

• Boiling point: 434.697°C at 760 mmHg (Cal.)
• Flash point: 216.697°C (Cal.)