4-methoxymandelic acid

• CAS: 10502-44-0
• Catalog Number: ACM10502440
• Category: Other Products
• Molecular Weight: 182.18
• Molecular Formula: C9H10O4
• Synonyms: α-Hydroxy-4-methoxybenzeneacetic acid
• IUPAC Name: 2-Hydroxy-2-(4-methoxyphenyl)acetic acid
• Canonical SMILES: COC1=CC=C(C=C1)C(C(=O)O)O
• InChI: InChI=1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)
• InChI Key: ITECRQOOEQWFPE-UHFFFAOYSA-N
• Boiling Point: 370 °C
• Melting Point: 108-111 °C(lit.)
• Flash Point: 153 °C
• Density: 1.309 g/cm³
• Solubility: Soluble in water
• Appearance: Powder to crystal
• Storage: Sealed in dry, room temperature
• Complexity: 173
• Exact Mass: 182.05790880
• Monoisotopic Mass: 182.05790880
• pKa: 3.43±0.10(Predicted)
• Refractive Index: 1.569
• Topological Polar Surface Area: 66.8 Ų