5-Chloro-3,4-Dihydro-8-Hydroxy-3-Methyl-1H-2-Benzopyran-1-One-7-Carboxylic Acid
[CAS# 16281-39-3]

Identification

• Name: 5-Chloro-3,4-Dihydro-8-Hydroxy-3-Methyl-1H-2-Benzopyran-1-One-7-Carboxylic Acid
• Synonyms: 5-Chloro-8-Hydroxy-3-Methyl-1-Oxo-Isochroman-7-Carboxylic Acid; 5-Chloro-8-Hydroxy-3-Methyl-1-Oxo-7-Isochromancarboxylic Acid; 5-Chloro-8-Hydroxy-1-Keto-3-Methyl-Isochroman-7-Carboxylic Acid
• Molecular Formula: C₁₁H₉ClO₅
• Molecular Weight: 256.64
• CAS Registry Number: 16281-39-3
• SMILES: C1=C(C2=C(C(=C1C(=O)O)O)C(OC(C2)C)=O)Cl
• InChI: 1S/C11H9ClO5/c1-4-2-5-7(12)3-6(10(14)15)9(13)8(5)11(16)17-4/h3-4,13H,2H2,1H3,(H,14,15)
• InChIKey: OSFWJKYWJMZKSM-UHFFFAOYSA-N

Properties

• Density: 1.539g/cm³ (Cal.)
• Boiling point: 521.428°C at 760 mmHg (Cal.)
• Flash point: 269.15°C (Cal.)