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Structure

4-Acetylphenylboronic acid

CAS
149104-90-5
Catalog Number
ACM149104905
Category
Boronic Acids
Molecular Weight
163.97g/mol
Molecular Formula
C8H9BO3

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Specification

Synonyms
RARECHEM AH PB 0162;P-ACETYLPHENYLBORONIC ACID;TIMTEC-BB SBB000146;4-ACETYLPHENYLBORONIC ACID;4-ACETYLBENZENEBORONIC ACID;ACETOPHENONE-4-BORONIC ACID;AKOS BRN-0001;4-Acetylphenylboronic acid~4-Boronoacetophenone
IUPAC Name
(4-acetylphenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C(=O)C)(O)O
InChI
InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3
InChI Key
OBQRODBYVNIZJU-UHFFFAOYSA-N
Complexity
162
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
What is the molecular formula of 4-Acetylphenylboronic acid?

The molecular formula of 4-Acetylphenylboronic acid is C8H9BO3.

When was the PubChem CID 3702122 created and last modified?

PubChem CID 3702122 was created on September 10, 2005, and last modified on December 2, 2023.

What are the synonyms for 4-Acetylphenylboronic acid?

Some synonyms for 4-Acetylphenylboronic acid include (4-acetylphenyl)boronic acid, 4-Acetylbenzeneboronic Acid, and p-acetylphenylboronic acid.

What is the molecular weight of 4-Acetylphenylboronic acid?

The molecular weight of 4-Acetylphenylboronic acid is 163.97 g/mol.

What is the IUPAC name of 4-Acetylphenylboronic acid?

The IUPAC name of 4-Acetylphenylboronic acid is (4-acetylphenyl)boronic acid.

What is the Canonical SMILES for 4-Acetylphenylboronic acid?

The Canonical SMILES for 4-Acetylphenylboronic acid is B(C1=CC=C(C=C1)C(=O)C)(O)O.

How many hydrogen bond donor counts does 4-Acetylphenylboronic acid have?

4-Acetylphenylboronic acid has 2 hydrogen bond donor counts.

What is the exact mass of 4-Acetylphenylboronic acid?

The exact mass of 4-Acetylphenylboronic acid is 164.0644743 g/mol.

Does 4-Acetylphenylboronic acid have any defined atom stereocenter count?

No, 4-Acetylphenylboronic acid does not have any defined atom stereocenter count.

Is the compound canonicalized for 4-Acetylphenylboronic acid?

Yes, the compound is canonicalized for 4-Acetylphenylboronic acid.

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