8-(3-Hydroxypropoxy)-3-(1H-Tetrazol-5-Yl)-2H-1-Benzopyran-2-One
[CAS# 80916-79-6]

Identification

• Name: 8-(3-Hydroxypropoxy)-3-(1H-Tetrazol-5-Yl)-2H-1-Benzopyran-2-One
• Synonyms: 8-(3-Hydroxypropoxy)-3-(2H-Tetrazol-5-Yl)-2-Chromenone; 8-(3-Hydroxypropoxy)-3-(2H-Tetrazol-5-Yl)Coumarin; 8-(3-Hydroxypropoxy)-3-(2H-1,2,3,4-Tetrazol-5-Yl)Chromen-2-One
• Molecular Formula: C₁₃H₁₂N₄O₄
• Molecular Weight: 288.26
• CAS Registry Number: 80916-79-6
• SMILES: C1=C2C(=C(OCCCO)C=C1)OC(=O)C(=C2)C3=N[NH]N=N3
• InChI: 1S/C13H12N4O4/c18-5-2-6-20-10-4-1-3-8-7-9(12-14-16-17-15-12)13(19)21-11(8)10/h1,3-4,7,18H,2,5-6H2,(H,14,15,16,17)
• InChIKey: YFLKXPHHBVDVBU-UHFFFAOYSA-N

Properties

• Density: 1.503g/cm³ (Cal.)
• Boiling point: 614.026°C at 760 mmHg (Cal.)
• Flash point: 325.151°C (Cal.)