2-Acetylphenylboronic acid

• CAS: 308103-40-4
• Catalog Number: ACM308103404
• Category: Boronic Acids
• Molecular Weight: 163.97g/mol
• Molecular Formula: C8H9BO3
• Synonyms: RARECHEM AH PB 0161;TIMTEC-BB SBB000148;AKOS BRN-0165;2-ACETYLBENZENEBORONIC ACID;2-ACETYLPHENYLBORONIC ACID;Boronic acid, (2-acetylphenyl)- (9CI);2-Acetylbenzenboronicacid;2-Acetylphenylboronic
• IUPAC Name: (2-acetylphenyl)boronic acid
• Canonical SMILES: B(C1=CC=CC=C1C(=O)C)(O)O
• InChI: InChI=1S/C8H9BO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,11-12H,1H3
• InChI Key: ZKAOVABYLXQUTI-UHFFFAOYSA-N
• Complexity: 170
• Covalently-Bonded Unit Count: 1
• Exact Mass: 164.064474g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 164.064474g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 2-Acetylphenylboronic acid?

The molecular formula of 2-Acetylphenylboronic acid is C8H9BO3.

What is the molecular weight of 2-Acetylphenylboronic acid?

The molecular weight of 2-Acetylphenylboronic acid is 163.97 g/mol.

What is the IUPAC name of 2-Acetylphenylboronic acid?

The IUPAC name of 2-Acetylphenylboronic acid is (2-acetylphenyl)boronic acid.

What is the InChI of 2-Acetylphenylboronic acid?

The InChI of 2-Acetylphenylboronic acid is InChI=1S/C8H9BO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,11-12H,1H3.

What is the InChIKey of 2-Acetylphenylboronic acid?

The InChIKey of 2-Acetylphenylboronic acid is ZKAOVABYLXQUTI-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Acetylphenylboronic acid?

The canonical SMILES of 2-Acetylphenylboronic acid is B(C1=CC=CC=C1C(=O)C)(O)O.

What is the CAS number of 2-Acetylphenylboronic acid?

The CAS number of 2-Acetylphenylboronic acid is 308103-40-4.

What is the hydrogen bond donor count of 2-Acetylphenylboronic acid?

The hydrogen bond donor count of 2-Acetylphenylboronic acid is 2.

What is the hydrogen bond acceptor count of 2-Acetylphenylboronic acid?

The hydrogen bond acceptor count of 2-Acetylphenylboronic acid is 3.

Is 2-Acetylphenylboronic acid a canonicalized compound?

Yes, 2-Acetylphenylboronic acid is a canonicalized compound.