(3R-(3alpha,4alpha,5beta))-5-((3-(3,4-Dihydroxyphenyl)-1-Oxo-2-Propenyl)Oxy)-3,4-Dihydroxy-1-Cyclohexene-1-Carboxylic Acid
[CAS# 73263-62-4]

Identification

• Name: (3R-(3alpha,4alpha,5beta))-5-((3-(3,4-Dihydroxyphenyl)-1-Oxo-2-Propenyl)Oxy)-3,4-Dihydroxy-1-Cyclohexene-1-Carboxylic Acid
• Synonyms: (3R,4R,5R)-5-[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy-3,4-Dihydroxy-Cyclohexene-1-Carboxylic Acid; (3R,4R,5R)-5-[(E)-3-(3,4-Dihydroxyphenyl)-1-Oxoprop-2-Enoxy]-3,4-Dihydroxy-1-Cyclohexenecarboxylic Acid; (3R,4R,5R)-5-[(E)-3-(3,4-Dihydroxyphenyl)Acryloyl]Oxy-3,4-Dihydroxy-Cyclohexene-1-Carboxylic Acid
• Molecular Formula: C₁₆H₁₆O₈
• Molecular Weight: 336.30
• CAS Registry Number: 73263-62-4
• SMILES: [C@H]1(CC(=C[C@H]([C@H]1O)O)C(=O)O)OC(/C=C/C2=CC(=C(C=C2)O)O)=O
• InChI: 1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
• InChIKey: QMPHZIPNNJOWQI-GDDAOPKQSA-N

Properties

• Density: 1.602g/cm³ (Cal.)
• Boiling point: 635.146°C at 760 mmHg (Cal.)
• Flash point: 236.549°C (Cal.)