3-(1,3-Benzodioxol-5-ylmethyl)-4-methoxy-4-oxobutanoic acid
[CAS# 96548-65-1]

Identification

• Name: 3-(1,3-Benzodioxol-5-ylmethyl)-4-methoxy-4-oxobutanoic acid
• Synonyms: Butanedioic acid, (1,3-benzodioxol-5-ylmethyl)-, 1-methyl ester; TL8006010; NSC195957
• Molecular Formula: C₁₃H₁₄O₆
• Molecular Weight: 266.25
• CAS Registry Number: 96548-65-1
• SMILES: O=C(O)CC(C(=O)OC)Cc1ccc2OCOc2c1
• InChI: 1S/C13H14O6/c1-17-13(16)9(6-12(14)15)4-8-2-3-10-11(5-8)19-7-18-10/h2-3,5,9H,4,6-7H2,1H3,(H,14,15)
• InChIKey: FFMSTQGYTSQYCT-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 428.692°C at 760 mmHg (Cal.)
• Flash point: 163.381°C (Cal.)