4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Acetic Acid
[CAS# 71872-96-3]

Identification

• Name: 4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Acetic Acid
• Synonyms: 2-[5-Keto-1-(4-Sulfophenyl)-4H-Pyrazol-3-Yl]Acetic Acid; 2-[5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazol-3-Yl]Ethanoic Acid; 4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Acetic Acid
• Molecular Formula: C₁₁H₁₀N₂O₆S
• Molecular Weight: 298.27
• CAS Registry Number: 71872-96-3
• EINECS: 276-105-2
• SMILES: C1=C([S](=O)(=O)O)C=CC(=C1)N2N=C(CC(=O)O)CC2=O
• InChI: 1S/C11H10N2O6S/c14-10-5-7(6-11(15)16)12-13(10)8-1-3-9(4-2-8)20(17,18)19/h1-4H,5-6H2,(H,15,16)(H,17,18,19)
• InChIKey: BQPLZHXIWFVFRH-UHFFFAOYSA-N

Properties

• Density: 1.679g/cm³ (Cal.)