4-(1,3-Benzoxathiol-2-Yl)-alpha-Methylbenzeneacetic Acid
[CAS# 52787-33-4]

Identification

• Name: 4-(1,3-Benzoxathiol-2-Yl)-alpha-Methylbenzeneacetic Acid
• Synonyms: 2-[4-(1,3-Benzoxathiol-2-Yl)Phenyl]Propionic Acid; 4-(1,3-Benzoxathiol-2-Yl)-Alpha-Methylbenzeneacetic Acid; Benzeneacetic Acid, 4-(1,3-Benzoxathiol-2-Yl)-Alpha-Methyl-
• Molecular Formula: C₁₆H₁₄O₃S
• Molecular Weight: 286.34
• CAS Registry Number: 52787-33-4
• SMILES: C3=C(C1OC2=C(S1)C=CC=C2)C=CC(=C3)C(C(O)=O)C
• InChI: 1S/C16H14O3S/c1-10(15(17)18)11-6-8-12(9-7-11)16-19-13-4-2-3-5-14(13)20-16/h2-10,16H,1H3,(H,17,18)
• InChIKey: IGPHQHDMKZAZHP-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 471.285°C at 760 mmHg (Cal.)
• Flash point: 238.825°C (Cal.)