3-[3-[5-(2-Carboxyethenyl)-2-Hydroxy-3-Methoxy-Phenyl]-4-Hydroxy-5-Methoxy-Phenyl]Prop-2-Enoic Acid
[CAS# 436-96-4]

Identification

• Name: 3-[3-[5-(2-Carboxyethenyl)-2-Hydroxy-3-Methoxy-Phenyl]-4-Hydroxy-5-Methoxy-Phenyl]Prop-2-Enoic Acid
• Synonyms: (E)-3-[4-Hydroxy-3-[2-Hydroxy-5-[(E)-3-Hydroxy-3-Oxoprop-1-Enyl]-3-Methoxyphenyl]-5-Methoxyphenyl]Prop-2-Enoic Acid; (E)-3-[4-Hydroxy-3-[2-Hydroxy-5-[(E)-3-Hydroxy-3-Oxo-Prop-1-Enyl]-3-Methoxy-Phenyl]-5-Methoxy-Phenyl]Prop-2-Enoic Acid; 3-[4-Hydroxy-3-[2-Hydroxy-5-(3-Hydroxy-3-Oxo-Prop-1-Enyl)-3-Methoxy-Phenyl]-5-Methoxy-Phenyl]Prop-2-Enoic Acid
• Molecular Formula: C₂₀H₁₈O₈
• Molecular Weight: 386.36
• CAS Registry Number: 436-96-4
• SMILES: C2=C(C1=CC(=CC(=C1O)OC)/C=C/C(=O)O)C(=C(OC)C=C2/C=C/C(=O)O)O
• InChI: 1S/C20H18O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h3-10,25-26H,1-2H3,(H,21,22)(H,23,24)/b5-3+,6-4+
• InChIKey: LBQZVWQOPFFQJI-GGWOSOGESA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 623.408°C at 760 mmHg (Cal.)
• Flash point: 222.002°C (Cal.)