(4E)-5-(1H-Imidazol-4-Yl)-3-Oxo-4-Pentenoic Acid
[CAS# 512848-73-6]

Identification

• Name: (4E)-5-(1H-Imidazol-4-Yl)-3-Oxo-4-Pentenoic Acid
• Synonyms: (4E)-5-(1H-Imidazol-4-yl)-3-oxo-4-pentenoic acid; (4E)-5-(1H-Imidazol-4-yl)-3-oxo-4-pentensäure; (E)-5-(1H-imidazol-4-yl)-3-oxopent-4-enoic acid
• Molecular Formula: C₈H₈N₂O₃
• Molecular Weight: 180.16
• CAS Registry Number: 512848-73-6
• SMILES: c1c(nc[nH]1)/C=C/C(=O)CC(=O)O
• InChI: 1S/C8H8N2O3/c11-7(3-8(12)13)2-1-6-4-9-5-10-6/h1-2,4-5H,3H2,(H,9,10)(H,12,13)/b2-1+
• InChIKey: VUSZMGVLWNMIAO-OWOJBTEDSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 547.8±35.0°C at 760 mmHg (Cal.)
• Flash point: 285.1±25.9°C (Cal.)
• Refractive index: 1.638 (Cal.)