3-(1,3-Benzoxazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-4-carbonitrile
[CAS# 90146-01-3]

Identification

• Name: 3-(1,3-Benzoxazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-4-carbonitrile
• Synonyms: 3- -4-CYANO-7-HYDROXYCOUMARIN; 3-(2-Benzoxazolyl)-4-cyano-7-hydroxycoumarin; 3-(2-Benzoxazolyl)-4-cyanoumbelliferone
• Molecular Formula: C₁₇H₈N₂O₄
• Molecular Weight: 304.26
• CAS Registry Number: 90146-01-3
• SMILES: C1=CC=C2C(=C1)N=C(O2)C3=C(C4=C(C=C(C=C4)O)OC3=O)C#N
• InChI: 1S/C17H8N2O4/c18-8-11-10-6-5-9(20)7-14(10)23-17(21)15(11)16-19-12-3-1-2-4-13(12)22-16/h1-7,20H
• InChIKey: FJBJRHZSCDFLBF-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 553.3±60.0°C at 760 mmHg (Cal.)
• Flash point: 288.4±32.9°C (Cal.)