3-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
[CAS# 94192-16-2]

Identification

• Name: 3-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
• Synonyms: 1,2,4-oxadiazole-5-propanoic acid, 3-(3-methylphenyl); 1,2,4-oxadiazole-5-propanoic acid, 3-(3-methylphenyl)-; 3-(3-(m-tolyl)-1,2,4-oxadiazol-5-yl)propanoic acid
• Molecular Formula: C₁₂H₁₂N₂O₃
• Molecular Weight: 232.24
• CAS Registry Number: 94192-16-2
• SMILES: CC1=CC(=CC=C1)C2=NOC(=N2)CCC(=O)O
• InChI: 1S/C12H12N2O3/c1-8-3-2-4-9(7-8)12-13-10(17-14-12)5-6-11(15)16/h2-4,7H,5-6H2,1H3,(H,15,16)
• InChIKey: XODDCJFEBMABKW-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 450.8±55.0°C at 760 mmHg (Cal.)
• Flash point: 226.5±31.5°C (Cal.)

Safety Data

• Safety Description: IRRITANT