4,5-Dihydro-5-Oxo-1-[(4-Sulfophenyl)Methyl]-1H-Pyrazole-3-Carboxylicacid
[CAS# 71849-96-2]

Identification

• Name: 4,5-Dihydro-5-Oxo-1-[(4-Sulfophenyl)Methyl]-1H-Pyrazole-3-Carboxylicacid
• Synonyms: 5-Keto-1-(4-Sulfobenzyl)-4H-Pyrazole-3-Carboxylic Acid; 4,5-Dihydro-5-Oxo-1-((4-Sulphophenyl)Methyl)-1H-Pyrazole-3-Carboxylic Acid
• Molecular Formula: C₁₁H₁₀N₂O₆S
• Molecular Weight: 298.27
• CAS Registry Number: 71849-96-2
• EINECS: 276-081-3
• SMILES: C1=C([S](=O)(=O)O)C=CC(=C1)CN2N=C(C(=O)O)CC2=O
• InChI: 1S/C11H10N2O6S/c14-10-5-9(11(15)16)12-13(10)6-7-1-3-8(4-2-7)20(17,18)19/h1-4H,5-6H2,(H,15,16)(H,17,18,19)
• InChIKey: JVQOIEZICVLIPO-UHFFFAOYSA-N

Properties

• Density: 1.679g/cm³ (Cal.)