4-Methoxy-3-methylbenzeneboronic acid

• Catalog Number: ACM175883622
• Product Name: 4-Methoxy-3-methylbenzeneboronic acid
• CAS: 175883-62-2
• Category: Boronic Acids
• Synonyms: 4-Methoxy-3-methylphenylboronic acid, 595500_ALDRICH, MolPort-000-931-584, CID2773487, (4-methoxy-3-methyl-phenyl)boronic Acid, BBV-15967422, M122, TL80073577, I01-3301, 175883-62-2
• IUPAC Name: (4-methoxy-3-methylphenyl)boronic acid
• Molecular Weight: 165.98
• Molecular Formula: C₈H₁₁BO₃
• Canonical SMILES: B(C1=CC(=C(C=C1)OC)C)(O)O
• InChI Key: PXVDQGVAZBTFIB-UHFFFAOYSA-N
• Boiling Point: 321.4ºC at 760mmHg
• Melting Point: 205-210ºC(lit.)
• Flash Point: 148.2ºC
• Density: 1.14g/cm³
• Exact Mass: 166.08000
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Safety Description: S26-S36
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Methoxy-3-methylbenzeneboronic acid?

The molecular formula is C8H11BO3.

What is the molecular weight of 4-Methoxy-3-methylbenzeneboronic acid?

The molecular weight is 165.98 g/mol.

What is the IUPAC name of 4-Methoxy-3-methylbenzeneboronic acid?

The IUPAC name is (4-methoxy-3-methylphenyl)boronic acid.

What is the InChI of 4-Methoxy-3-methylbenzeneboronic acid?

The InChI is InChI=1S/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3.

What is the InChIKey of 4-Methoxy-3-methylbenzeneboronic acid?

The InChIKey is PXVDQGVAZBTFIB-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Methoxy-3-methylbenzeneboronic acid?

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

What is the CAS number of 4-Methoxy-3-methylbenzeneboronic acid?

The CAS number is 175883-62-2.

What is the European Community (EC) number of 4-Methoxy-3-methylbenzeneboronic acid?

The EC number is 681-593-9.

What is the hydrogens bond donor count of 4-Methoxy-3-methylbenzeneboronic acid?

The hydrogen bond donor count is 2.

Is 4-Methoxy-3-methylbenzeneboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.