[4-(methoxymethoxy)phenyl]boronic acid

• ChemBase ID: 813362
• Molecular Formular: C8H11BO4
• Molecular Mass: 181.98154
• Monoisotopic Mass: 182.07503923
• SMILES: B(O)(O)c1ccc(cc1)OCOC
• Canonical SMILES: COCOc1ccc(cc1)B(O)O
• InChI: InChI=1S/C8H11BO4/c1-12-6-13-8-4-2-7(3-5-8)9(10)11/h2-5,10-11H,6H2,1H3
• InChIKey: MERYVSUVKVVJMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(methoxymethoxy)phenyl]boronic acid
• IUPAC Traditional name: 4-(methoxymethoxy)phenylboronic acid
• Synonyms: 4-(METHOXYMETHOXY)PHENYLBORONIC ACID

Database IDs

• CAS Number: 162662-27-3

CALCULATED PROPERTIES

• Acid pKa: 8.858943
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.589611
• LogD (pH = 7.4): 1.5750408
• Log P: 1.5898
• Molar Refractivity: 42.9197 cm^3
• Polarizability: 18.600485 Å^3
• Polar Surface Area: 58.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%