(E)-2-Benzylbut-2-Enedioic Acid
[CAS# 5469-43-2]

Identification

• Name: (E)-2-Benzylbut-2-Enedioic Acid
• Synonyms: (E)-2-(Benzyl)But-2-Enedioic Acid; Nsc25330
• Molecular Formula: C₁₁H₁₀O₄
• Molecular Weight: 206.20
• CAS Registry Number: 5469-43-2
• SMILES: C1=C(C=CC=C1)C\C(C(=O)O)=C/C(=O)O
• InChI: 1S/C11H10O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15)/b9-7+
• InChIKey: PGHYAIXOPQQRJA-VQHVLOKHSA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 459.083°C at 760 mmHg (Cal.)
• Flash point: 245.567°C (Cal.)