3-Carboxy-4-methylphenylboronic acid

• CAS: 1256346-18-5
• Catalog Number: ACM1256346185-1
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of 3-Carboxy-4-methylphenylboronic acid?

The molecular formula is C8H9BO4.

What is the IUPAC name of this compound?

The IUPAC name is 5-borono-2-methylbenzoic acid.

What is the InChI of this compound?

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

What is the InChIKey of this compound?

The InChIKey is YFXACZJIMXASRO-UHFFFAOYSA-N.

What is the canonical SMILES of this compound?

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

What is the molecular weight of 3-Carboxy-4-methylphenylboronic acid?

The molecular weight is 179.97 g/mol.

How many hydrogen bond donor counts does this compound have?

This compound has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does this compound have?

This compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does this compound have?

This compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.