4-Hydroxy-2-Oxo-2H-1-Benzopyran-3-Carboxylic Acid Ethyl Ester
[CAS# 1821-20-1]

Identification

• Name: 4-Hydroxy-2-Oxo-2H-1-Benzopyran-3-Carboxylic Acid Ethyl Ester
• Synonyms: (3E)-3-(Ethoxy-Hydroxy-Methylene)Chroman-2,4-Dione; (3E)-3-(Ethoxy-Hydroxymethylene)Chroman-2,4-Dione; (3E)-3-(Ethoxy-Hydroxy-Methylene)Chroman-2,4-Quinone
• Molecular Formula: C₁₂H₁₀O₅
• Molecular Weight: 234.21
• CAS Registry Number: 1821-20-1
• SMILES: C1=C2C(=CC=C1)OC(=O)C(/C2=O)=C(OCC)\O
• InChI: 1S/C12H10O5/c1-2-16-11(14)9-10(13)7-5-3-4-6-8(7)17-12(9)15/h3-6,14H,2H2,1H3/b11-9+
• InChIKey: NGHJJHSNGXWKBD-PKNBQFBNSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 370.879°C at 760 mmHg (Cal.)
• Flash point: 144.227°C (Cal.)