5-Chloro-8-Hydroxy-3-Methyl-1-Oxoisochroman-7-Carboxylic Acid
[CAS# 19165-63-0]

Identification

• Name: 5-Chloro-8-Hydroxy-3-Methyl-1-Oxoisochroman-7-Carboxylic Acid
• Synonyms: (3R)-5-Chloro-8-Hydroxy-3-Methyl-1-Oxo-Isochroman-7-Carboxylic Acid; (3R)-5-Chloro-8-Hydroxy-3-Methyl-1-Oxo-7-Isochromancarboxylic Acid; (3R)-5-Chloro-8-Hydroxy-1-Keto-3-Methyl-Isochroman-7-Carboxylic Acid
• Molecular Formula: C₁₁H₉ClO₅
• Molecular Weight: 256.64
• CAS Registry Number: 19165-63-0
• SMILES: [C@H]2(CC1=C(C(=C(C=C1Cl)C(=O)O)O)C(O2)=O)C
• 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)/t4-/m1/s1
• InChIKey: OSFWJKYWJMZKSM-SCSAIBSYSA-N

Properties

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