3-[5-(2,3-Dihydroxy-3-Oxopropanoyl)-2,6-Dimethyl-1,4-Dihydropyridin-3-Yl]-2-Hydroxy-3-Oxopropanoic Acid
[CAS# 111254-08-1]

Identification

• Name: 3-[5-(2,3-Dihydroxy-3-Oxopropanoyl)-2,6-Dimethyl-1,4-Dihydropyridin-3-Yl]-2-Hydroxy-3-Oxopropanoic Acid
• Synonyms: 3-[5-(2,3-Dihydroxy-3-Oxo-Propanoyl)-2,6-Dimethyl-1,4-Dihydropyridin-3-Yl]-2-Hydroxy-3-Oxo-Propanoic Acid; 3-[5-(2,3-Dihydroxy-1,3-Dioxopropyl)-2,6-Dimethyl-1,4-Dihydropyridin-3-Yl]-2-Hydroxy-3-Oxopropanoic Acid; 3-[5-(2,3-Dihydroxy-3-Keto-Propanoyl)-2,6-Dimethyl-1,4-Dihydropyridin-3-Yl]-2-Hydroxy-3-Keto-Propionic Acid
• Molecular Formula: C₁₃H₁₅NO₈
• Molecular Weight: 313.26
• CAS Registry Number: 111254-08-1
• SMILES: CC1=C(CC(=C(N1)C)C(=O)C(O)C(=O)O)C(=O)C(O)C(=O)O
• InChI: 1S/C13H15NO8/c1-4-6(8(15)10(17)12(19)20)3-7(5(2)14-4)9(16)11(18)13(21)22/h10-11,14,17-18H,3H2,1-2H3,(H,19,20)(H,21,22)
• InChIKey: ZEWKNXNAEUDRRP-UHFFFAOYSA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 619.066°C at 760 mmHg (Cal.)
• Flash point: 328.199°C (Cal.)