(3-formylphenyl)boronic acid

C7H7BO3 — CID 2734356

IUPAC(3-formylphenyl)boronic acid
SMILESO=Cc1cccc(B(O)O)c1
InChIInChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H
InChIKeyHJBGZJMKTOMQRR-UHFFFAOYSA-N
MW149.94 g/mol
LogP-0.82
Rot. Bonds2

About (3-formylphenyl)boronic acid

(3-formylphenyl)boronic acid (PubChem CID 2734356) has the molecular formula C7H7BO3 and a molecular weight of 149.94 g/mol. Its IUPAC name is (3-formylphenyl)boronic acid.

Molecular Properties

Compound Name(3-formylphenyl)boronic acid
PubChem CID2734356
Molecular FormulaC7H7BO3
Molecular Weight149.94 g/mol
Exact Mass150.05
IUPAC Name(3-formylphenyl)boronic acid
SMILESO=Cc1cccc(B(O)O)c1
InChIInChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H
InChIKeyHJBGZJMKTOMQRR-UHFFFAOYSA-N
XLogP-0.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.94
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-formylphenyl)boronic acid?
The IUPAC name of (3-formylphenyl)boronic acid (CID 2734356) is (3-formylphenyl)boronic acid.
What is the SMILES notation for (3-formylphenyl)boronic acid?
The canonical SMILES for (3-formylphenyl)boronic acid is O=Cc1cccc(B(O)O)c1.
What is the InChIKey of (3-formylphenyl)boronic acid?
The InChIKey is HJBGZJMKTOMQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H.
What are the key properties of (3-formylphenyl)boronic acid?
(3-formylphenyl)boronic acid has a molecular weight of 149.94 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formylphenyl)boronic acid is sourced from PubChem (CID 2734356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).