3-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
[CAS# 94192-15-1]

Identification

• Name: 3-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
• Synonyms: 1,2,4-oxadiazole-5-propanoic acid, 3-(2-methylphenyl); 3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanoic acid; 3-(3-o-Tolyl-[1,2,4]oxadiazol-5-yl)-propionic acid
• Molecular Formula: C₁₂H₁₂N₂O₃
• Molecular Weight: 232.24
• CAS Registry Number: 94192-15-1
• SMILES: CC1=CC=CC=C1C2=NOC(=N2)CCC(=O)O
• InChI: 1S/C12H12N2O3/c1-8-4-2-3-5-9(8)12-13-10(17-14-12)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
• InChIKey: DPVKAFMWSAOINX-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 444.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 222.8±31.5°C (Cal.)

Safety Data

• Safety Description: IRRITANT