3-Hydroxyhippuricacid

• Catalog Number: ACM1637758
• Product Name: 3-Hydroxyhippuricacid
• CAS: 1637-75-8
• Category: Main Products
• Synonyms: N-(3-Hydroxybenzoyl-)Glycine
• IUPAC Name: 2-[(3-Hydroxybenzoyl)amino]acetic acid
• Molecular Weight: 195.17
• Molecular Formula: C9H9NO4
• Canonical SMILES: C1=CC(=CC(=C1)O)C(=O)NCC(=O)O
• InChI: InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
• InChI Key: XDOFWFNMYJRHEW-UHFFFAOYSA-N
• Boiling Point: 489.8±30.0 °C
• Melting Point: 185 °C
• Flash Point: 250ºC
• Density: 1.400±0.06 g/cm³
• Solubility: Slightly soluble in chloroform, methanol
• Appearance: White to off-white solid
• Storage: Refrigerator
• Complexity: 229
• Exact Mass: 195.05315777
• Monoisotopic Mass: 195.05315777
• pKa: 3.70±0.10(Predicted)
• Topological Polar Surface Area: 86.6 Ų