2,3,4-Trimethoxyphenylboronic acid

• CAS: 118062-05-8
• Catalog Number: ACM118062058
• Category: Boronic Acids
• Molecular Weight: 212.01g/mol
• Molecular Formula: C9H13BO5
• IUPAC Name: (2,3,4-trimethoxyphenyl)boronic acid
• Canonical SMILES: B(C1=C(C(=C(C=C1)OC)OC)OC)(O)O
• InChI: InChI=1S/C9H13BO5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,11-12H,1-3H3
• InChI Key: LDQLSQRFSNMANA-UHFFFAOYSA-N
• Complexity: 189
• 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 2,3,4-Trimethoxyphenylboronic acid?

The molecular formula is C9H13BO5.

What is the molecular weight of 2,3,4-Trimethoxyphenylboronic acid?

The molecular weight is 212.01 g/mol.

What is the IUPAC name of 2,3,4-Trimethoxyphenylboronic acid?

The IUPAC name is (2,3,4-trimethoxyphenyl)boronic acid.

What is the InChI of 2,3,4-Trimethoxyphenylboronic acid?

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

What is the InChIKey of 2,3,4-Trimethoxyphenylboronic acid?

The InChIKey is LDQLSQRFSNMANA-UHFFFAOYSA-N.

What is the canonical SMILES of 2,3,4-Trimethoxyphenylboronic acid?

The canonical SMILES is B(C1=C(C(=C(C=C1)OC)OC)OC)(O)O.

What is the CAS number of 2,3,4-Trimethoxyphenylboronic acid?

The CAS number is 118062-05-8.

What is the European Community (EC) number of 2,3,4-Trimethoxyphenylboronic acid?

The European Community (EC) number is 681-179-8.

What is the DSSTox Substance ID of 2,3,4-Trimethoxyphenylboronic acid?

The DSSTox Substance ID is DTXSID80378572.

Is 2,3,4-Trimethoxyphenylboronic acid canonicalized?

Yes, it is canonicalized.