6-(2-Oxopropyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
[CAS# 863132-85-8]

Identification

• Name: 6-(2-Oxopropyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
• Synonyms: 1,4-BENZODIOXIN-2-CARBOXYLICACID, 2,3-DIHYDRO-6-(2-OXOPROPYL)-
• Molecular Formula: C₁₂H₁₂O₅
• Molecular Weight: 236.22
• CAS Registry Number: 863132-85-8
• SMILES: CC(=O)Cc1ccc2OC(COc2c1)C(O)=O
• InChI: 1S/C12H12O5/c1-7(13)4-8-2-3-9-10(5-8)16-6-11(17-9)12(14)15/h2-3,5,11H,4,6H2,1H3,(H,14,15)
• InChIKey: GSHIVNGJILVEFP-UHFFFAOYSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 420.699°C at 760 mmHg (Cal.)
• Flash point: 165.376°C (Cal.)
• Refractive index: 1.561 (Cal.)