(2E)-3-{1-[(4-Methylphenyl)Sulfonyl]-1H-Indol-3-Yl}Acrylic Acid
[CAS# 164531-22-0]

Identification

• Name: (2E)-3-{1-[(4-Methylphenyl)Sulfonyl]-1H-Indol-3-Yl}Acrylic Acid
• Synonyms: 2-PROPENOIC ACID,3-[1-[(4-METHYLPHENYL)SULFONYL]-1H-INDOL-3-YL]-, (2E)-
• Molecular Formula: C₁₈H₁₅NO₄S
• Molecular Weight: 341.38
• CAS Registry Number: 164531-22-0
• SMILES: O=S(=O)(c1ccc(cc1)C)n3c2ccccc2c(c3)\C=C\C(=O)O
• InChI: 1S/C18H15NO4S/c1-13-6-9-15(10-7-13)24(22,23)19-12-14(8-11-18(20)21)16-4-2-3-5-17(16)19/h2-12H,1H3,(H,20,21)/b11-8+
• InChIKey: XOIGITWGUHKORS-DHZHZOJOSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Melting point: 238-240°C (Expl.)
• Boiling point: 588.128°C at 760 mmHg (Cal.)
• Flash point: 309.489°C (Cal.)
• Refractive index: 1.63 (Cal.)

Safety Data

• Safety Description: Irritant