(prop-1-en-2-yl)boronic acid

• ChemBase ID: 289460
• Molecular Formular: C3H7BO2
• Molecular Mass: 85.89748
• Monoisotopic Mass: 86.05390986
• SMILES: CC(=C)B(O)O
• Canonical SMILES: OB(C(=C)C)O
• InChI: InChI=1S/C3H7BO2/c1-3(2)4(5)6/h5-6H,1H2,2H3
• InChIKey: WCONKKYQBKPMNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-1-en-2-yl)boronic acid
• IUPAC Traditional name: prop-1-en-2-ylboronic acid
• Synonyms: Prop-1-en-2-ylboronic acid

Database IDs

• CAS Number: 14559-87-6
• PubChem SID: 180674991
• PubChem CID: 10855372

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.3204
• LogD (pH = 7.4): 0.3204
• Log P: 0.3204
• Molar Refractivity: 20.1062 cm^3
• Polarizability: 9.238657 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%