3-Formylphenylboronic acid

• Catalog Number: ACM87199164
• Product Name: 3-Formylphenylboronic acid
• CAS: 87199-16-4
• Category: Boronic Acids
• Synonyms: Boronic acid, B-(3-forMylphenyl)-
• IUPAC Name: (3-formylphenyl)boronic acid
• Molecular Weight: 149.94
• Molecular Formula: C7H7BO3
• Canonical SMILES: B(C1=CC(=CC=C1)C=O)(O)O
• InChI: InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H
• InChI Key: HJBGZJMKTOMQRR-UHFFFAOYSA-N
• Boiling Point: 354.4±44.0 °C
• Melting Point: 109-113 °C
• Density: 1.24±0.1 g/ml
• Complexity: 138
• Covalently-Bonded Unit Count: 1
• Exact Mass: 150.048824g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 150.048824g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 3-Formylphenylboronic acid?

The molecular formula of 3-Formylphenylboronic acid is C7H7BO3.

What is the molecular weight of 3-Formylphenylboronic acid?

The molecular weight of 3-Formylphenylboronic acid is 149.94 g/mol.

What is the IUPAC name of 3-Formylphenylboronic acid?

The IUPAC name of 3-Formylphenylboronic acid is (3-formylphenyl)boronic acid.

What is the InChI of 3-Formylphenylboronic acid?

The InChI of 3-Formylphenylboronic acid is InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H.

What is the InChIKey of 3-Formylphenylboronic acid?

The InChIKey of 3-Formylphenylboronic acid is HJBGZJMKTOMQRR-UHFFFAOYSA-N.

What is the canonical SMILES representation of 3-Formylphenylboronic acid?

The canonical SMILES representation of 3-Formylphenylboronic acid is B(C1=CC(=CC=C1)C=O)(O)O.

What is the CAS number of 3-Formylphenylboronic acid?

The CAS number of 3-Formylphenylboronic acid is 87199-16-4.

What is the EC number of 3-Formylphenylboronic acid?

The EC number of 3-Formylphenylboronic acid is 628-589-5.

What is the DSSTox Substance ID of 3-Formylphenylboronic acid?

The DSSTox Substance ID of 3-Formylphenylboronic acid is DTXSID10370246.

Is 3-Formylphenylboronic acid a canonicalized compound?

Yes, 3-Formylphenylboronic acid is a canonicalized compound.