8-Methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
[CAS# 819800-57-2]

Identification

• Name: 8-Methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
• Synonyms: 2H-1,5-BENZODIOXEPIN-6-CARBOXYLICACID, 3,4-DIHYDRO-8-METHYL-; 8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.21
• CAS Registry Number: 819800-57-2
• SMILES: Cc1cc(c2c(c1)OCCCO2)C(=O)O
• InChI: 1S/C11H12O4/c1-7-5-8(11(12)13)10-9(6-7)14-3-2-4-15-10/h5-6H,2-4H2,1H3,(H,12,13)
• InChIKey: MFXOGNHSBWMQOH-UHFFFAOYSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 360.565°C at 760 mmHg (Cal.)
• Flash point: 142.817°C (Cal.)
• Refractive index: 1.561 (Cal.)