[4-methoxy-2-(methoxymethoxy)phenyl]boronic acid

• ChemBase ID: 803386
• Molecular Formular: C9H13BO5
• Molecular Mass: 212.00752
• Monoisotopic Mass: 212.08560392
• SMILES: B(O)(O)c1c(cc(cc1)OC)OCOC
• Canonical SMILES: COCOc1cc(OC)ccc1B(O)O
• InChI: InChI=1S/C9H13BO5/c1-13-6-15-9-5-7(14-2)3-4-8(9)10(11)12/h3-5,11-12H,6H2,1-2H3
• InChIKey: OOKSTPITTUKNKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-methoxy-2-(methoxymethoxy)phenyl]boronic acid
• IUPAC Traditional name: 4-methoxy-2-(methoxymethoxy)phenylboronic acid
• Synonyms: [4-METHOXY-2-(METHOXYMETHOXY)PHENYL]BORONIC ACID

Database IDs

• CAS Number: 183474-23-9

CALCULATED PROPERTIES

• Acid pKa: 8.513555
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3366816
• LogD (pH = 7.4): 1.3050548
• Log P: 1.3371
• Molar Refractivity: 49.3829 cm^3
• Polarizability: 21.145573 Å^3
• Polar Surface Area: 68.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%