Metesculetol
[CAS# 52814-39-8]

Identification

• Name: Metesculetol
• Synonyms: Sodium 2-(7-Hydroxy-4-Methyl-2-Oxo-Chromen-6-Yl)Oxyacetic Acid; Sodium 2-[(7-Hydroxy-4-Methyl-2-Oxo-6-Chromenyl)Oxy]Acetic Acid; Sodium 2-(7-Hydroxy-2-Keto-4-Methyl-Chromen-6-Yl)Oxyacetic Acid
• Molecular Formula: C₁₂H₁₀NaO₆
• Molecular Weight: 273.20
• CAS Registry Number: 52814-39-8
• EINECS: 258-201-6
• SMILES: C1=C(OCC(O)=O)C(=CC2=C1C(=CC(O2)=O)C)O.[Na+]
• InChI: 1S/C12H10O6.Na/c1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15;/h2-4,13H,5H2,1H3,(H,14,15);/q;+1
• InChIKey: UTRDATDGJKWVBG-UHFFFAOYSA-N

Properties

• Boiling point: 530.4°C at 760 mmHg (Cal.)
• Flash point: 211.5°C (Cal.)