2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-1-Benzopyran-3-Yl Nicotinate
[CAS# 1556-70-3]

Identification

• Name: 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-1-Benzopyran-3-Yl Nicotinate
• Synonyms: [2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-Chromen-3-Yl] Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-3-Chromenyl] Ester; Nicotinic Acid [2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Keto-Chromen-3-Yl] Ester
• Molecular Formula: C₂₁H₁₃NO₈
• Molecular Weight: 407.34
• CAS Registry Number: 1556-70-3
• EINECS: 216-312-7
• SMILES: C1=C(O)C=C(O)C3=C1OC(=C(OC(=O)C2=CN=CC=C2)C3=O)C4=CC(=C(O)C=C4)O
• InChI: 1S/C21H13NO8/c23-12-7-15(26)17-16(8-12)29-19(10-3-4-13(24)14(25)6-10)20(18(17)27)30-21(28)11-2-1-5-22-9-11/h1-9,23-26H
• InChIKey: BZIXWQIWHDSDHR-UHFFFAOYSA-N

Properties

• Density: 1.73g/cm³ (Cal.)
• Boiling point: 712.232°C at 760 mmHg (Cal.)
• Flash point: 384.544°C (Cal.)