(3S)-3-Hydroxy-4-(5-Hydroxy-3-Methyl-1,4-Dioxonaphthalen-2-Yl)Butanoic Acid
[CAS# 160162-39-0]

Identification

• Name: (3S)-3-Hydroxy-4-(5-Hydroxy-3-Methyl-1,4-Dioxonaphthalen-2-Yl)Butanoic Acid
• Synonyms: (3S)-3-Hydroxy-4-(5-Hydroxy-3-Methyl-1,4-Dioxo-2-Naphthyl)Butanoic Acid; (3S)-3-Hydroxy-4-(5-Hydroxy-1,4-Diketo-3-Methyl-2-Naphthyl)Butyric Acid; (3S)-3-Hydroxy-4-(5-Hydroxy-3-Methyl-1,4-Dioxo-Naphthalen-2-Yl)Butanoic Acid
• Molecular Formula: C₁₅H₁₄O₆
• Molecular Weight: 290.27
• CAS Registry Number: 160162-39-0
• SMILES: [C@@H](CC(=O)O)(CC2=C(C(C1=C(O)C=CC=C1C2=O)=O)C)O
• InChI: 1S/C15H14O6/c1-7-10(5-8(16)6-12(18)19)15(21)9-3-2-4-11(17)13(9)14(7)20/h2-4,8,16-17H,5-6H2,1H3,(H,18,19)/t8-/m0/s1
• InChIKey: MIJQQLCPVSCPSU-QMMMGPOBSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 585.085°C at 760 mmHg (Cal.)
• Flash point: 321.686°C (Cal.)