3-(3,5-Dimethyl-1H-pyrazol-4-yl)propanoic acid
[CAS# 890625-93-1]

Identification

• Name: 3-(3,5-Dimethyl-1H-pyrazol-4-yl)propanoic acid
• Synonyms: 1H-PYRAZOLE-4-PROPANOICACID, 3,5-DIMETHYL-; 3-(3,5-Dimethyl-1 H -pyrazol-4-yl)-propionic acid; 3-(3,5-dimethyl-1H-pyrazol-2-ium-4-yl)propanoate
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.19
• CAS Registry Number: 890625-93-1
• SMILES: O=C(O)CCc1c(nnc1C)C
• InChI: 1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)(H,11,12)
• InChIKey: NKTYLFMWIMKAKT-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 385.661°C at 760 mmHg (Cal.)
• Flash point: 187.042°C (Cal.)
• Refractive index: 1.556 (Cal.)

Safety Data

• Safety Description: IRRITANT