3-[2-(4-Chlorophenyl)Benzo[1,3]Dioxol-2-Yl]Propanoic Acid
[CAS# 50836-00-5]

Identification

• Name: 3-[2-(4-Chlorophenyl)Benzo[1,3]Dioxol-2-Yl]Propanoic Acid
• Synonyms: 3-[2-(4-Chlorophenyl)-1,3-Benzodioxol-2-Yl]Propionic Acid; 3-(2-P-Chlorophenyl-1,3-Benzodioxol-2-Yl)Propionic Acid; 1,3-Benzodioxole-2-Propionic Acid, 2-(P-Chlorophenyl)-
• Molecular Formula: C₁₆H₁₃ClO₄
• Molecular Weight: 304.73
• CAS Registry Number: 50836-00-5
• SMILES: C3=C(C1(OC2=C(O1)C=CC=C2)CCC(O)=O)C=CC(=C3)Cl
• InChI: 1S/C16H13ClO4/c17-12-7-5-11(6-8-12)16(10-9-15(18)19)20-13-3-1-2-4-14(13)21-16/h1-8H,9-10H2,(H,18,19)
• InChIKey: HXQZDWACJPVSJQ-UHFFFAOYSA-N

Properties

• Density: 1.361g/cm³ (Cal.)
• Boiling point: 471.077°C at 760 mmHg (Cal.)
• Flash point: 238.699°C (Cal.)