4-Hydroxy-3-methoxymandelic acid

• Catalog Number: ACM55107
• Product Name: 4-Hydroxy-3-methoxymandelic acid
• CAS: 55-10-7
• Category: Heterocyclic Organic Compound
• Synonyms: Vanilinmandelic acid
• IUPAC Name: 2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
• Molecular Weight: 198.17
• Molecular Formula: C9H10O5
• Canonical SMILES: COC1=C(C=CC(=C1)C(C(=O)O)O)O
• InChI: InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
• InChI Key: CGQCWMIAEPEHNQ-UHFFFAOYSA-N
• Boiling Point: 255.48 °C
• Melting Point: 132-134 °C(lit.)
• Flash Point: 173.7 °C
• Density: 1.2539 g/cm³
• Solubility: Sparingly soluble in water
• Appearance: White to off-white powder
• Storage: 2-8 °C
• Complexity: 205
• Exact Mass: 198.05282342
• Monoisotopic Mass: 198.05282342
• pKa: 3.42±0.10(Predicted)
• Refractive Index: 1.4570
• Topological Polar Surface Area: 87 Ų