4-(Methylcarbamoyl)-2-methoxyphenylboronic acid

• CAS: 1451391-90-4
• Catalog Number: ACM1451391904
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C9H12BNO4.

What is the molecular weight of the compound?

The molecular weight of the compound is 209.01 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [2-methoxy-4-(methylcarbamoyl)phenyl]boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H12BNO4/c1-11-9(12)6-3-4-7(10(13)14)8(5-6)15-2/h3-5,13-14H,1-2H3,(H,11,12).

What is the InChIKey of the compound?

The InChIKey of the compound is ZSPSEMZFBHOFIX-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=C(C=C(C=C1)C(=O)NC)OC)(O)O.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 3.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 4.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 78.8Ų.

Is the compound a canonicalized form?

Yes, the compound is a canonicalized form.