2,5,10-Trihydroxy-4-Methoxybenzo[a]Pyrene-6,12-Dione
[CAS# 27575-46-8]

Identification

• Name: 2,5,10-Trihydroxy-4-Methoxybenzo[a]Pyrene-6,12-Dione
• Synonyms: 2,6,10-Trihydroxy-4-Methoxy-Benzo[A]Pyrene-5,12-Dione; 2,6,10-Trihydroxy-4-Methoxy-Benzo[A]Pyrene-5,12-Quinone; Arenicochrome B711763k031 (Megalomma Quadrioculatum)
• Molecular Formula: C₂₁H₁₂O₆
• Molecular Weight: 360.32
• CAS Registry Number: 27575-46-8
• SMILES: C1=CC=C(O)C4=C1C(=C2C5=C3C(=C(OC)C2=O)C=C(O)C=C3C(=O)C=C45)O
• InChI: 1S/C21H12O6/c1-27-21-12-6-8(22)5-10-14(24)7-11-15-9(3-2-4-13(15)23)19(25)18(20(21)26)17(11)16(10)12/h2-7,22-23,25H,1H3
• InChIKey: VNGWJTJZYUSNNL-UHFFFAOYSA-N

Properties

• Density: 1.715g/cm³ (Cal.)
• Boiling point: 696.305°C at 760 mmHg (Cal.)
• Flash point: 257.607°C (Cal.)