2-Hydroxy-3-[(E)-4-Hydroxy-3-Methyl-2-Butenyl]-1,4-Naphthoquinone
[CAS# 523-34-2]

Identification

• Name: 2-Hydroxy-3-[(E)-4-Hydroxy-3-Methyl-2-Butenyl]-1,4-Naphthoquinone
• Synonyms: 4-Hydroxy-3-[(Z)-4-Hydroxy-3-Methyl-But-2-Enyl]Naphthalene-1,2-Dione; 4-Hydroxy-3-[(Z)-4-Hydroxy-3-Methyl-But-2-Enyl]-1,2-Naphthoquinone; 1,4-Naphthalenedione, 2-Hydroxy-3-(4-Hydroxy-3-Methyl-2-Butenyl)-
• Molecular Formula: C₁₅H₁₄O₄
• Molecular Weight: 258.27
• CAS Registry Number: 523-34-2
• SMILES: C2=C1C(=C(C\C=C(/CO)C)C(=O)C(=O)C1=CC=C2)O
• InChI: 1S/C15H14O4/c1-9(8-16)6-7-12-13(17)10-4-2-3-5-11(10)14(18)15(12)19/h2-6,16-17H,7-8H2,1H3/b9-6-
• InChIKey: YJMIIMYBDZPSBH-TWGQIWQCSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 467.481°C at 760 mmHg (Cal.)
• Flash point: 250.64°C (Cal.)