4-Oxo-4-(3,4,5-Trimethoxyphenyl)-2-Butenoic Acid
[CAS# 94201-97-5]

Identification

• Name: 4-Oxo-4-(3,4,5-Trimethoxyphenyl)-2-Butenoic Acid
• Synonyms: (E)-4-Keto-4-(3,4,5-Trimethoxyphenyl)But-2-Enoic Acid; Baxitozinum [Inn-Latin]; Ru 38086
• Molecular Formula: C₁₃H₁₄O₆
• Molecular Weight: 266.25
• CAS Registry Number: 94201-97-5
• EINECS: 303-688-3
• SMILES: C1=C(C(=C(C=C1C(\C=C\C(O)=O)=O)OC)OC)OC
• InChI: 1S/C13H14O6/c1-17-10-6-8(9(14)4-5-12(15)16)7-11(18-2)13(10)19-3/h4-7H,1-3H3,(H,15,16)/b5-4+
• InChIKey: PVCWLTQMJSUKGZ-SNAWJCMRSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 457.948°C at 760 mmHg (Cal.)
• Flash point: 174.332°C (Cal.)