3,5-Dimethylphenylboronic acid

• Catalog Number: ACM172975698
• Product Name: 3,5-Dimethylphenylboronic acid
• CAS: 172975-69-8
• Category: Boronic Acids
• Synonyms: Boronic acid, B-(3,5-diMethylphenyl)-
• IUPAC Name: (3,5-dimethylphenyl)boronic acid
• Molecular Weight: 149.98
• Molecular Formula: C8H11BO2
• Canonical SMILES: B(C1=CC(=CC(=C1)C)C)(O)O
• InChI: InChI=1S/C8H11BO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5,10-11H,1-2H3
• InChI Key: DJGHSJBYKIQHIK-UHFFFAOYSA-N
• Boiling Point: 312.7±52.0 °C
• Melting Point: 261-265 °C (lit.)
• Density: 1.07±0.1 g/ml
• Complexity: 117
• Covalently-Bonded Unit Count: 1
• Exact Mass: 150.08521g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 150.08521g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 3,5-Dimethylphenylboronic acid?

The molecular formula of 3,5-Dimethylphenylboronic acid is C8H11BO2.

What is the molecular weight of 3,5-Dimethylphenylboronic acid?

The molecular weight of 3,5-Dimethylphenylboronic acid is 149.98 g/mol.

What is the IUPAC name of 3,5-Dimethylphenylboronic acid?

The IUPAC name of 3,5-Dimethylphenylboronic acid is (3,5-dimethylphenyl)boronic acid.

What is the InChI of 3,5-Dimethylphenylboronic acid?

The InChI of 3,5-Dimethylphenylboronic acid is InChI=1S/C8H11BO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5,10-11H,1-2H3.

What is the InChIKey of 3,5-Dimethylphenylboronic acid?

The InChIKey of 3,5-Dimethylphenylboronic acid is DJGHSJBYKIQHIK-UHFFFAOYSA-N.

What is the canonical SMILES of 3,5-Dimethylphenylboronic acid?

The canonical SMILES of 3,5-Dimethylphenylboronic acid is B(C1=CC(=CC(=C1)C)C)(O)O.

What is the CAS number of 3,5-Dimethylphenylboronic acid?

The CAS number of 3,5-Dimethylphenylboronic acid is 172975-69-8.

How many hydrogen bond donor counts does 3,5-Dimethylphenylboronic acid have?

3,5-Dimethylphenylboronic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3,5-Dimethylphenylboronic acid have?

3,5-Dimethylphenylboronic acid has 2 hydrogen bond acceptor counts.