(2S,4S)-6-Chloro-4-Methyl-4-Phenyl-1,3-Benzodioxine-2-Carboxylic Acid
[CAS# 74271-49-1]

Identification

• Name: (2S,4S)-6-Chloro-4-Methyl-4-Phenyl-1,3-Benzodioxine-2-Carboxylic Acid
• Synonyms: 4H-1,3-Benzodioxin-2-Carboxylic Acid, 6-Chloro-4-Methyl-4-Phenyl-, Trans-(-)-; Ru 25766; Ru 25765
• Molecular Formula: C₁₆H₁₃ClO₄
• Molecular Weight: 304.73
• CAS Registry Number: 74271-49-1
• SMILES: [C@@]1(O[C@H](OC2=CC=C(Cl)C=C12)C(=O)O)(C3=CC=CC=C3)C
• InChI: 1S/C16H13ClO4/c1-16(10-5-3-2-4-6-10)12-9-11(17)7-8-13(12)20-15(21-16)14(18)19/h2-9,15H,1H3,(H,18,19)/t15-,16-/m0/s1
• InChIKey: UMBAPIWARGTVLV-HOTGVXAUSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 489.752°C at 760 mmHg (Cal.)
• Flash point: 249.993°C (Cal.)