4,5-Dihydro-1-(2-Methyl-4-Sulphophenyl)-5-Oxo-1H-Pyrazole-3-Carboxylic Acid
[CAS# 67939-25-7]

Identification

• Name: 4,5-Dihydro-1-(2-Methyl-4-Sulphophenyl)-5-Oxo-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: 1-(2-Methyl-4-Sulfo-Phenyl)-5-Oxo-4H-Pyrazole-3-Carboxylic Acid; 5-Keto-1-(2-Methyl-4-Sulfo-Phenyl)-4H-Pyrazole-3-Carboxylic Acid; 1H-Pyrazole-3-Carboxylic Acid, 4,5-Dihydro-1-(2-Methyl-4-Sulfophenyl)-5-Oxo-
• Molecular Formula: C₁₁H₁₀N₂O₆S
• Molecular Weight: 298.27
• CAS Registry Number: 67939-25-7
• EINECS: 267-828-4
• SMILES: C1=C([S](=O)(=O)O)C=CC(=C1C)N2N=C(CC2=O)C(=O)O
• InChI: 1S/C11H10N2O6S/c1-6-4-7(20(17,18)19)2-3-9(6)13-10(14)5-8(12-13)11(15)16/h2-4H,5H2,1H3,(H,15,16)(H,17,18,19)
• InChIKey: WPBFQWYLRKBVCE-UHFFFAOYSA-N

Properties

• Density: 1.687g/cm³ (Cal.)