(2Z)-6-Hydroxy-2-[2-(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-1H-3,1-Benzoxazin-4-One
[CAS# 78164-38-2]

Identification

• Name: (2Z)-6-Hydroxy-2-[2-(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-1H-3,1-Benzoxazin-4-One
• Synonyms: (2Z)-6-Hydroxy-2-[2-(4-Keto-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-1H-3,1-Benzoxazin-4-One; Avenalumin I; 4H-3,1-Benzoxazin-4-One, 6-Hydroxy-2-((1E)-2-(4-Hydroxyphenyl)Ethenyl)-
• Molecular Formula: C₁₆H₁₁NO₄
• Molecular Weight: 281.27
• CAS Registry Number: 78164-38-2
• SMILES: C1=CC(=CC2=C1NC(/OC2=O)=C/C=C3C=CC(=O)C=C3)O
• InChI: 1S/C16H11NO4/c18-11-4-1-10(2-5-11)3-8-15-17-14-7-6-12(19)9-13(14)16(20)21-15/h1-9,17,19H/b15-8-
• InChIKey: QNYCOKSQLWQILU-NVNXTCNLSA-N

Properties

• Density: 1.557g/cm³ (Cal.)
• Boiling point: 507.912°C at 760 mmHg (Cal.)
• Flash point: 260.976°C (Cal.)