3-Carboxy-5-methylphenylboronic acid

CAS

1150114-66-1

Catalog Number

ACM1150114661

Category

Other Products; Boronic Acids

Molecular Weight

180.0

Molecular Formula

C8H9BO4

MSDS COA Spec Sheet

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Specification

Synonyms

3-CARBOXY-5-METHYLPHENYLBORONIC ACID, 1150114-66-1, SureCN9937809, 3-Borono-5-methylbenzoic acid, ACMC-2099n2, CTK4A9047, ANW-16764, 3-Carboxy-5-methylphenylboronic acid,, AKOS006315557, AG-D-35693, AK-61483, KB-30743, X1635, A-5072, I04-1883

IUPAC Name

3-borono-5-methylbenzoic acid

Canonical SMILES

B(C1=CC(=CC(=C1)C)C(=O)O)(O)O

InChI Key

LGRLKFHVFRMHOZ-UHFFFAOYSA-N

Exact Mass

180.05900

H-Bond Acceptor

H-Bond Donor

May 23, 2023

A useful pharmaceutical intermediate.
In drug synthesis, 3-Carboxy-5-methylphenylboronic acid can be used as an intermediate to synthesize aryl drugs.

What is the molecular formula of 3-Carboxy-5-methylphenylboronic acid?

The molecular formula of 3-Carboxy-5-methylphenylboronic acid is C8H9BO4.

What are the synonyms of 3-Carboxy-5-methylphenylboronic acid?

The synonyms of 3-Carboxy-5-methylphenylboronic acid are 3-Borono-5-methylbenzoic acid, 1150114-66-1, and MFCD12025977.

What is the computed molecular weight of 3-Carboxy-5-methylphenylboronic acid?

The computed molecular weight of 3-Carboxy-5-methylphenylboronic acid is 179.97 g/mol.

What is the IUPAC name of 3-Carboxy-5-methylphenylboronic acid?

The IUPAC name of 3-Carboxy-5-methylphenylboronic acid is 3-borono-5-methylbenzoic acid.

What is the InChI of 3-Carboxy-5-methylphenylboronic acid?

The InChI of 3-Carboxy-5-methylphenylboronic acid is InChI=1S/C8H9BO4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4,12-13H,1H3,(H,10,11).

What is the InChIKey of 3-Carboxy-5-methylphenylboronic acid?

The InChIKey of 3-Carboxy-5-methylphenylboronic acid is LGRLKFHVFRMHOZ-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Carboxy-5-methylphenylboronic acid?

The canonical SMILES of 3-Carboxy-5-methylphenylboronic acid is B(C1=CC(=CC(=C1)C(=O)O)C)(O)O.

What is the CAS number of 3-Carboxy-5-methylphenylboronic acid?

The CAS number of 3-Carboxy-5-methylphenylboronic acid is 1150114-66-1.

How many hydrogen bond donor counts does 3-Carboxy-5-methylphenylboronic acid have?

3-Carboxy-5-methylphenylboronic acid has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-Carboxy-5-methylphenylboronic acid have?

3-Carboxy-5-methylphenylboronic acid has 4 hydrogen bond acceptor counts.