2-Methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone
[CAS# 51732-61-7]

Identification

• Name: 2-Methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone
• Synonyms: (E)-4-Methyl-6-(3-Methyl-1,4-Dioxo-2-Naphthyl)Hex-4-Enoic Acid; (E)-6-(1,4-Diketo-3-Methyl-2-Naphthyl)-4-Methyl-Hex-4-Enoic Acid; (E)-4-Methyl-6-(3-Methyl-1,4-Dioxo-Naphthalen-2-Yl)Hex-4-Enoic Acid
• Molecular Formula: C₁₈H₁₈O₄
• Molecular Weight: 298.34
• CAS Registry Number: 51732-61-7
• SMILES: C1=CC=CC2=C1C(=O)C(=C(C2=O)C)C\C=C(\CCC(=O)O)C
• InChI: 1S/C18H18O4/c1-11(8-10-16(19)20)7-9-13-12(2)17(21)14-5-3-4-6-15(14)18(13)22/h3-7H,8-10H2,1-2H3,(H,19,20)/b11-7+
• InChIKey: BCNIZSHMXASUGF-YRNVUSSQSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 497.438°C at 760 mmHg (Cal.)
• Flash point: 268.738°C (Cal.)