4-(3,4-Dihydro-3-Oxo-2H-1,4-Benzoxazin-6-Yl)-4-Oxo-2-Butenoicacid
[CAS# 26518-87-6]

Identification

• Name: 4-(3,4-Dihydro-3-Oxo-2H-1,4-Benzoxazin-6-Yl)-4-Oxo-2-Butenoicacid
• Synonyms: (E)-4-Keto-4-(3-Keto-4H-1,4-Benzoxazin-6-Yl)But-2-Enoate; Zinc03883684
• Molecular Formula: C₁₂H₈NO₅
• Molecular Weight: 246.20
• CAS Registry Number: 26518-87-6
• SMILES: C1=C(C=CC2=C1NC(=O)CO2)C(=O)\C=C\C([O-])=O
• InChI: 1S/C12H9NO5/c14-9(2-4-12(16)17)7-1-3-10-8(5-7)13-11(15)6-18-10/h1-5H,6H2,(H,13,15)(H,16,17)/p-1/b4-2+
• InChIKey: PKUSHMFPTILMCD-DUXPYHPUSA-M

Properties

• Boiling point: 558.632°C at 760 mmHg (Cal.)
• Flash point: 291.651°C (Cal.)