4-(Hydroxymethyl)phenylboronic acid

• CAS: 59016-93-2
• Catalog Number: ACM59016932
• Category: Boronic Acids
• Molecular Weight: 151.96
• Molecular Formula: C7H9BO3
• Synonyms: (4-Boronophenyl)methanol
• IUPAC Name: [4-(hydroxymethyl)phenyl]boronic acid
• SMILES: B(C1=CC=C(C=C1)CO)(O)O
• InChI: InChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2
• InChI Key: PZRPBPMLSSNFOM-UHFFFAOYSA-N
• Boiling Point: 362.0±44.0 °C
• Melting Point: 251-256 °C (lit.)
• Density: 1.25±0.1 g/ml
• Complexity: 110
• Covalently-Bonded Unit Count: 1
• Exact Mass: 152.064474g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 11
• Monoisotopic Mass: 152.064474g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 4-(Hydroxymethyl)phenylboronic acid?

The molecular formula of 4-(Hydroxymethyl)phenylboronic acid is C7H9BO3.

What is the molecular weight of 4-(Hydroxymethyl)phenylboronic acid?

The molecular weight of 4-(Hydroxymethyl)phenylboronic acid is 151.96 g/mol.

What is the IUPAC name of 4-(Hydroxymethyl)phenylboronic acid?

The IUPAC name of 4-(Hydroxymethyl)phenylboronic acid is [4-(hydroxymethyl)phenyl]boronic acid.

What is the InChI of 4-(Hydroxymethyl)phenylboronic acid?

The InChI of 4-(Hydroxymethyl)phenylboronic acid is InChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2.

What is the InChIKey of 4-(Hydroxymethyl)phenylboronic acid?

The InChIKey of 4-(Hydroxymethyl)phenylboronic acid is PZRPBPMLSSNFOM-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Hydroxymethyl)phenylboronic acid?

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

What is the CAS number of 4-(Hydroxymethyl)phenylboronic acid?

The CAS number of 4-(Hydroxymethyl)phenylboronic acid is 59016-93-2.

What is the DSSTox Substance ID of 4-(Hydroxymethyl)phenylboronic acid?

The DSSTox Substance ID of 4-(Hydroxymethyl)phenylboronic acid is DTXSID20370454.

Is 4-(Hydroxymethyl)phenylboronic acid a heavy atom?

Yes, 4-(Hydroxymethyl)phenylboronic acid has 11 heavy atoms.