3,4,5-Trimethoxyphenylboronic Acid

• CAS: 182163-96-8
• Catalog Number: ACM182163968
• Category: Other Products
• Molecular Weight: 212.01
• Molecular Formula: C9H13BO5
• Synonyms: RARECHEM AH PB 0050;AKOS BRN-0140;3,4,5-TRIMETHOXYBENZENEBORONIC ACID;3,4,5-TRIMETHOXYPHENYLBORONIC ACID;3,4,5-Trimethoxylphenylboronic acid;3,4,5-TRIMETHOXYBENZENEBORONIC ACID, 98+%;3,4,5-Trifluoromethoxyphenylboronic acid;3,4,5-Trimethoxyphenylboronic a
• IUPAC Name: (3,4,5-trimethoxyphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=C(C(=C1)OC)OC)OC)(O)O
• InChI: InChI=1S/C9H13BO5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5,11-12H,1-3H3
• InChI Key: RULQUTYJXDLRFL-UHFFFAOYSA-N
• Boiling Point: 370.6±52.0 °C
• Melting Point: >230 °C
• Density: 1.21±0.1 g/ml
• Complexity: 175
• Covalently-Bonded Unit Count: 1
• Exact Mass: 212.085604g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 15
• Monoisotopic Mass: 212.085604g/mol
• Rotatable Bond Count: 4

Custom Q&A

What is the molecular formula of 3,4,5-Trimethoxyphenylboronic acid?

The molecular formula is C9H13BO5.

What is the molecular weight of 3,4,5-Trimethoxyphenylboronic acid?

The molecular weight is 212.01 g/mol.

What is the IUPAC name of 3,4,5-Trimethoxyphenylboronic acid?

The IUPAC name is (3,4,5-trimethoxyphenyl)boronic acid.

What is the InChI of 3,4,5-Trimethoxyphenylboronic acid?

The InChI is InChI=1S/C9H13BO5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5,11-12H,1-3H3.

How many hydrogen bond donor counts does 3,4,5-Trimethoxyphenylboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3,4,5-Trimethoxyphenylboronic acid have?

It has 5 hydrogen bond acceptor counts.

What is the exact mass of 3,4,5-Trimethoxyphenylboronic acid?

The exact mass is 212.0856037 g/mol.

How many rotatable bond counts does 3,4,5-Trimethoxyphenylboronic acid have?

It has 4 rotatable bond counts.

Is 3,4,5-Trimethoxyphenylboronic acid canonically SMILES?

Yes, it is canonically SMILES.

What is the topological polar surface area of 3,4,5-Trimethoxyphenylboronic acid?

The topological polar surface area is 68.2 Å2.