2,3-Dimethyl-4-formylphenylboronic acid

• CAS: 643093-74-7
• Catalog Number: ACM643093747
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of 2,3-Dimethyl-4-formylphenylboronic acid?

The molecular formula is C9H11BO3.

What is the molecular weight of 2,3-Dimethyl-4-formylphenylboronic acid?

The molecular weight is 177.99 g/mol.

What is the IUPAC name of 2,3-Dimethyl-4-formylphenylboronic acid?

The IUPAC name is (4-formyl-2,3-dimethylphenyl)boronic acid.

What is the InChI of 2,3-Dimethyl-4-formylphenylboronic acid?

The InChI is InChI=1S/C9H11BO3/c1-6-7(2)9(10(12)13)4-3-8(6)5-11/h3-5,12-13H,1-2H3.

What is the InChIKey of 2,3-Dimethyl-4-formylphenylboronic acid?

The InChIKey is VWKSRDYVNJKHOI-UHFFFAOYSA-N.

What is the canonical SMILES of 2,3-Dimethyl-4-formylphenylboronic acid?

The canonical SMILES is B(C1=C(C(=C(C=C1)C=O)C)C)(O)O.

What is the hydrogen bond donor count of 2,3-Dimethyl-4-formylphenylboronic acid?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of 2,3-Dimethyl-4-formylphenylboronic acid?

The hydrogen bond acceptor count is 3.

What is the topological polar surface area of 2,3-Dimethyl-4-formylphenylboronic acid?

The topological polar surface area is 57.5 Ų.

Is 2,3-Dimethyl-4-formylphenylboronic acid canonicalized?

Yes, it is canonicalized.