3,4-dihydroxyphenylacetic acid

• CAS: 102-32-9
• Catalog Number: ACM102329
• Category: Other Products
• Molecular Weight: 168.15
• Molecular Formula: C8H8O4
• Synonyms: Dopacetic acid
• IUPAC Name: 2-(3,4-Dihydroxyphenyl)acetic acid
• Canonical SMILES: C1=CC(=C(C=C1CC(=O)O)O)O
• InChI: InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
• InChI Key: CFFZDZCDUFSOFZ-UHFFFAOYSA-N
• Boiling Point: 257.07 °C
• Melting Point: 127-130 °C(lit.)
• Flash Point: 221 °C
• Density: 1.3037 g/cm³
• Solubility: Soluble in water, methanol
• Appearance: Solid
• Storage: Inert atmosphere, room temperature
• Complexity: 168
• Exact Mass: 168.04225873
• Monoisotopic Mass: 168.04225873
• pKa: 4.42±0.10(Predicted)
• Refractive Index: 1.5090
• Topological Polar Surface Area: 77.8 Ų