Methyl N-[4-(dihydroxyboryl)benzoyl]-beta-alaninate
[CAS# 957034-76-3]

Identification

• Name: Methyl N-[4-(dihydroxyboryl)benzoyl]-beta-alaninate
• Synonyms: 4-[(3-Methoxy-3-oxopropyl)carbamoyl]benzeneboronic acid 97%; methyl 3-(4-boronobenzamido)propionate; Methyl 3-(4-boronobenzamido)propionate, Methyl 3-(4-boronobenzoylamino)propionate
• Molecular Formula: C₁₁H₁₄BNO₅
• Molecular Weight: 251.04
• CAS Registry Number: 957034-76-3
• SMILES: B(c1ccc(cc1)C(=O)NCCC(=O)OC)(O)O
• InChI: 1S/C11H14BNO5/c1-18-10(14)6-7-13-11(15)8-2-4-9(5-3-8)12(16)17/h2-5,16-17H,6-7H2,1H3,(H,13,15)
• InChIKey: NROXSDVUSUSOLU-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Refractive index: 1.542 (Cal.)