2-[(Carboxymethyl)Thio]-4,5-Dimethoxybenzoic Acid
[CAS# 26791-94-6]

Identification

• Name: 2-[(Carboxymethyl)Thio]-4,5-Dimethoxybenzoic Acid
• Synonyms: 2-(Carboxymethylsulfanyl)-4,5-Dimethoxy-Benzoic Acid; 2-(Carboxymethylthio)-4,5-Dimethoxybenzoic Acid; 2-(Carboxymethylthio)-4,5-Dimethoxy-Benzoic Acid
• Molecular Formula: C₁₁H₁₂O₆S
• Molecular Weight: 272.27
• CAS Registry Number: 26791-94-6
• EINECS: 248-009-0
• SMILES: C1=C(OC)C(=CC(=C1SCC(=O)O)C(=O)O)OC
• InChI: 1S/C11H12O6S/c1-16-7-3-6(11(14)15)9(4-8(7)17-2)18-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
• InChIKey: PYMSTJLTQHAJIG-UHFFFAOYSA-N

Properties

• Density: 1.459g/cm³ (Cal.)
• Boiling point: 456.594°C at 760 mmHg (Cal.)
• Flash point: 229.94°C (Cal.)