Phaseolic Acid
[CAS# 53755-04-7]

Identification

• Name: Phaseolic Acid
• Synonyms: (2S)-2-[(E)-3-(3,4-Dihydroxyphenyl)-1-Oxoprop-2-Enoxy]Butanedioic Acid; (2S)-2-[(E)-3-(3,4-Dihydroxyphenyl)Acryloyl]Oxysuccinic Acid; C10483
• Molecular Formula: C₁₃H₁₂O₈
• Molecular Weight: 296.23
• CAS Registry Number: 53755-04-7
• SMILES: [C@H](CC(=O)O)(C(=O)O)OC(/C=C/C1=CC=C(O)C(=C1)O)=O
• InChI: 1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1
• InChIKey: PMKQSEYPLQIEAY-YWNRKNDBSA-N

Properties

• Density: 1.589g/cm³ (Cal.)
• Boiling point: 557.067°C at 760 mmHg (Cal.)
• Flash point: 213.615°C (Cal.)