9-Methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
[CAS# 819800-59-4]

Identification

• Name: 9-Methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
• Synonyms: 2H-1,5-BENZODIOXEPIN-6-CARBOXYLICACID, 3,4-DIHYDRO-9-METHYL-; 9-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.21
• CAS Registry Number: 819800-59-4
• SMILES: Cc1ccc(c2c1OCCCO2)C(=O)O
• InChI: 1S/C11H12O4/c1-7-3-4-8(11(12)13)10-9(7)14-5-2-6-15-10/h3-4H,2,5-6H2,1H3,(H,12,13)
• InChIKey: AGSKKUWEJDDAPT-UHFFFAOYSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 363.175°C at 760 mmHg (Cal.)
• Flash point: 144.02°C (Cal.)
• Refractive index: 1.561 (Cal.)