4-Hydroxyphenylboronic acid

• CAS: 71597-85-8
• Catalog Number: ACM71597858
• Category: Boronic Acids
• Molecular Weight: 137.93
• Molecular Formula: C6H7BO3
• Synonyms: p-Hydroxy-benzeneboronic acid
• IUPAC Name: (4-hydroxyphenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)O)(O)O
• InChI: InChI=1S/C6H7BO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H
• InChI Key: COIQUVGFTILYGA-UHFFFAOYSA-N
• Boiling Point: 351.4 °C
• Melting Point: 230 °C
• Density: 1.32 g/ml
• Complexity: 99.2
• Covalently-Bonded Unit Count: 1
• Exact Mass: 138.048824g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 10
• Monoisotopic Mass: 138.048824g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 4-Hydroxyphenylboronic acid?

The molecular formula of 4-Hydroxyphenylboronic acid is C6H7BO3.

What is the molecular weight of 4-Hydroxyphenylboronic acid?

The molecular weight of 4-Hydroxyphenylboronic acid is 137.93 g/mol.

What is the IUPAC name of 4-Hydroxyphenylboronic acid?

The IUPAC name of 4-Hydroxyphenylboronic acid is (4-hydroxyphenyl)boronic acid.

What is the InChI of 4-Hydroxyphenylboronic acid?

The InChI of 4-Hydroxyphenylboronic acid is InChI=1S/C6H7BO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H.

What is the InChIKey of 4-Hydroxyphenylboronic acid?

The InChIKey of 4-Hydroxyphenylboronic acid is COIQUVGFTILYGA-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Hydroxyphenylboronic acid?

The canonical SMILES of 4-Hydroxyphenylboronic acid is B(C1=CC=C(C=C1)O)(O)O.

What is the CAS number of 4-Hydroxyphenylboronic acid?

The CAS number of 4-Hydroxyphenylboronic acid is 71597-85-8.

What is the ChEMBL ID of 4-Hydroxyphenylboronic acid?

The ChEMBL ID of 4-Hydroxyphenylboronic acid is CHEMBL3218996.

What is the DSSTox Substance ID of 4-Hydroxyphenylboronic acid?

The DSSTox Substance ID of 4-Hydroxyphenylboronic acid is DTXSID00370250.

Is 4-Hydroxyphenylboronic acid a canonicalized compound?

Yes, 4-Hydroxyphenylboronic acid is a canonicalized compound according to PubChem.