4-(3,4-Dimethyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
[CAS# 76128-33-1]

Identification

• Name: 4-(3,4-Dimethyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
• Synonyms: p-(2,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
• Molecular Formula: C₁₁H₁₂N₂O₄S
• Molecular Weight: 268.29
• CAS Registry Number: 76128-33-1
• EINECS: 278-378-3
• SMILES: OS(=O)(=O)c1ccc(cc1)N2NC(\C)=C(\C)C2=O
• InChI: 1S/C11H12N2O4S/c1-7-8(2)12-13(11(7)14)9-3-5-10(6-4-9)18(15,16)17/h3-6,12H,1-2H3,(H,15,16,17)
• InChIKey: BVUMRDLXYLFPAE-UHFFFAOYSA-N

Properties

• Density: 1.423g/cm³ (Cal.)