2-[Hydroxy(4-methylphenyl)methyl]-1,4-naphthoquinone
[CAS# 86341-83-5]

Identification

• Name: 2-[Hydroxy(4-methylphenyl)methyl]-1,4-naphthoquinone
• Synonyms: 2-[HYDROXY(4-METHYLPHENYL)METHYL]NAPHTHALENE-1,4-DIONE; NCIOpen2_002665; NSC58334
• Molecular Formula: C₁₈H₁₄O₃
• Molecular Weight: 278.30
• CAS Registry Number: 86341-83-5
• SMILES: O=C\2c1c(cccc1)C(=O)/C(=C/2)C(O)c3ccc(cc3)C
• InChI: 1S/C18H14O3/c1-11-6-8-12(9-7-11)17(20)15-10-16(19)13-4-2-3-5-14(13)18(15)21/h2-10,17,20H,1H3
• InChIKey: ULIRAKWTMFNJMK-UHFFFAOYSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 492.544°C at 760 mmHg (Cal.)
• Flash point: 265.781°C (Cal.)