3-(Toluene-4-Sulfonyl)-Propionic Acid
[CAS# 10154-76-4]

Identification

• Name: 3-(Toluene-4-Sulfonyl)-Propionic Acid
• Synonyms: 3-(4-Methylphenyl)Sulfonylpropionate; Zinc00274520
• Molecular Formula: C₁₀H₁₁O₄S
• Molecular Weight: 227.25
• CAS Registry Number: 10154-76-4
• SMILES: C1=C([S](=O)(=O)CCC([O-])=O)C=CC(=C1)C
• InChI: 1S/C10H12O4S/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)/p-1
• InChIKey: HXZLEMZJRUFEKH-UHFFFAOYSA-M

Properties

• Boiling point: 459.833°C at 760 mmHg (Cal.)
• Flash point: 231.899°C (Cal.)