3-Acetyl-1-methyl-1H-pyrazole-5-sulfonic acid
[CAS# 805179-08-2]

Identification

• Name: 3-Acetyl-1-methyl-1H-pyrazole-5-sulfonic acid
• Synonyms: 1H-PYRAZOLE-5-SULFONICACID, 3-ACETYL-1-METHYL-; 3-acetyl-1-methyl-1H-pyrazole-5-sulfonic acid
• Molecular Formula: C₆H₈N₂O₄S
• Molecular Weight: 204.20
• CAS Registry Number: 805179-08-2
• SMILES: CC(=O)c1cc(n(n1)C)S(=O)(=O)O
• InChI: 1S/C6H8N2O4S/c1-4(9)5-3-6(8(2)7-5)13(10,11)12/h3H,1-2H3,(H,10,11,12)
• InChIKey: AZTUQRJLUFUXQW-UHFFFAOYSA-N

Properties

• Density: 1.58g/cm³ (Cal.)
• Refractive index: 1.626 (Cal.)