3-amino-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)propanoic acid
[CAS# 682804-55-3]

Identification

• Name: 3-amino-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)propanoic acid
• Synonyms: 3-AMINO-3-(3-CHLORO-4-HYDROXY-5-METHOXY-PHENYL)-PROPIONICACID
• Molecular Formula: C₁₀H₁₂ClNO₄
• Molecular Weight: 245.66
• CAS Registry Number: 682804-55-3
• SMILES: COc1cc(cc(c1O)Cl)C(CC(=O)O)N
• InChI: 1S/C10H12ClNO4/c1-16-8-3-5(2-6(11)10(8)15)7(12)4-9(13)14/h2-3,7,15H,4,12H2,1H3,(H,13,14)
• InChIKey: BEJDJLKSTXKRQJ-UHFFFAOYSA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 402.379°C at 760 mmHg (Cal.)
• Flash point: 197.152°C (Cal.)
• Refractive index: 1.601 (Cal.)