4-Hydroxy-beta-[Carboxymethyl]-Cinnamic Acid
[CAS# 57100-28-4]

Identification

• Name: 4-Hydroxy-beta-[Carboxymethyl]-Cinnamic Acid
• Synonyms: 3-(4-Hydroxyphenyl)Pent-2-Enedioic Acid; C10496; Sphagnum Acid
• Molecular Formula: C₁₁H₁₀O₅
• Molecular Weight: 222.20
• CAS Registry Number: 57100-28-4
• SMILES: C1=CC(=CC=C1C(=C/C(=O)O)/CC(=O)O)O
• InChI: 1S/C11H10O5/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-5,12H,6H2,(H,13,14)(H,15,16)/b8-5+
• InChIKey: VOWYJJSQRYBVGK-VMPITWQZSA-N

Properties

• Density: 1.438g/cm³ (Cal.)
• Boiling point: 481.886°C at 760 mmHg (Cal.)
• Flash point: 259.342°C (Cal.)