(2E)-4-(3,5-Dimethyl-1H-Pyrazol-1-Yl)-4-Oxo-2-Butenoic Acid
[CAS# 545350-65-0]

Identification

• Name: (2E)-4-(3,5-Dimethyl-1H-Pyrazol-1-Yl)-4-Oxo-2-Butenoic Acid
• Synonyms: (E)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobut-2-enoic acid
• Molecular Formula: C₉H₁₀N₂O₃
• Molecular Weight: 194.19
• CAS Registry Number: 545350-65-0
• SMILES: O=C(n1nc(cc1C)C)\C=C\C(=O)O
• InChI: 1S/C9H10N2O3/c1-6-5-7(2)11(10-6)8(12)3-4-9(13)14/h3-5H,1-2H3,(H,13,14)/b4-3+
• InChIKey: TUBOYDSWJDGXHB-ONEGZZNKSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 400.737°C at 760 mmHg (Cal.)
• Flash point: 196.159°C (Cal.)
• Refractive index: 1.569 (Cal.)