3-Carboxyantipyrine
[CAS# 41405-77-0]

Identification

• Name: 3-Carboxyantipyrine
• Synonyms: 2-Methyl-5-Oxo-1-Phenyl-Pyrazole-3-Carboxylic Acid; 2-Methyl-5-Oxo-1-Phenyl-3-Pyrazolecarboxylic Acid; 5-Keto-2-Methyl-1-Phenyl-Pyrazole-3-Carboxylic Acid
• Molecular Formula: C₁₁H₁₀N₂O₃
• Molecular Weight: 218.21
• CAS Registry Number: 41405-77-0
• SMILES: C2=C(N1N(C(=CC1=O)C(=O)O)C)C=CC=C2
• InChI: 1S/C11H10N2O3/c1-12-9(11(15)16)7-10(14)13(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)
• InChIKey: OIHMJESJURQMDG-UHFFFAOYSA-N

Properties

• Density: 1.407g/cm³ (Cal.)
• Boiling point: 355.691°C at 760 mmHg (Cal.)
• Flash point: 168.916°C (Cal.)