5-Hydroxymethyl-furan-2-carboxylic acid

• Catalog Number: ACM6338416
• Product Name: 5-Hydroxymethyl-furan-2-carboxylic acid
• CAS: 6338-41-6
• Category: Furans
• Synonyms: 5-(Hydroxymethyl)-2-furancarboxylate
• IUPAC Name: 5-(Hydroxymethyl)furan-2-carboxylic acid
• Molecular Weight: 142.11
• Molecular Formula: C6H6O4
• Canonical SMILES: C1=C(OC(=C1)C(=O)O)CO
• InChI: InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)
• InChI Key: PCSKKIUURRTAEM-UHFFFAOYSA-N
• Boiling Point: 349.4±32.0 °C
• Melting Point: 247 °C
• Flash Point: 165.1 °C
• Density: 1.441±0.06 g/cm³
• Appearance: Solid
• Storage: -20 °C
• Complexity: 134
• Exact Mass: 142.02660867
• MDL Number: MFCD03274472
• Monoisotopic Mass: 142.02660867
• pKa: 3.11±0.10(Predicted)
• Refractive Index: 1.561
• Size: 1g,5g,25g
• Topological Polar Surface Area: 70.7 Ų