2,3-Dimethyl-5-Oxo-1-Phenyl-3-Pyrazoline-4-Acetic Acid
[CAS# 5678-07-9]

Identification

• Name: 2,3-Dimethyl-5-Oxo-1-Phenyl-3-Pyrazoline-4-Acetic Acid
• Synonyms: 2-(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)Acetic Acid; 2-(1,5-Dimethyl-3-Oxo-2-Phenyl-4-Pyrazolyl)Acetic Acid; 2-(3-Keto-1,5-Dimethyl-2-Phenyl-Pyrazol-4-Yl)Acetic Acid
• Molecular Formula: C₁₃H₁₄N₂O₃
• Molecular Weight: 246.27
• CAS Registry Number: 5678-07-9
• SMILES: C2=C(N1C(C(=C(N1C)C)CC(O)=O)=O)C=CC=C2
• InChI: 1S/C13H14N2O3/c1-9-11(8-12(16)17)13(18)15(14(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,16,17)
• InChIKey: KJUWDYDHIRWATR-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 407.704°C at 760 mmHg (Cal.)
• Flash point: 200.372°C (Cal.)