(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[CAS# 890092-87-2]

Identification

• Name: (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
• Synonyms: (4-Acetyl-3,5-dimethyl-pyrazol-1-yl)-acetic acid; 2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid; 2-(4-acetyl-3,5-dimethylpyrazolyl)acetic acid
• Molecular Formula: C₉H₁₂N₂O₃
• Molecular Weight: 196.20
• CAS Registry Number: 890092-87-2
• SMILES: O=C(O)Cn1nc(c(c1C)C(=O)C)C
• InChI: 1S/C9H12N2O3/c1-5-9(7(3)12)6(2)11(10-5)4-8(13)14/h4H2,1-3H3,(H,13,14)
• InChIKey: SOAAGCCBFNEUKR-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 374.737°C at 760 mmHg (Cal.)
• Flash point: 180.435°C (Cal.)
• Refractive index: 1.571 (Cal.)

Safety Data

• Safety Description: IRRITANT