4-Methoxy-2-formylphenylboronic acid

• CAS: 139962-95-1
• Catalog Number: ACM139962951
• Category: Boronic Acids
• Molecular Weight: 179.97g/mol
• Molecular Formula: C8H9BO4
• IUPAC Name: (2-formyl-4-methoxyphenyl)boronic acid
• Canonical SMILES: B(C1=C(C=C(C=C1)OC)C=O)(O)O
• InChI: InChI=1S/C8H9BO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5,11-12H,1H3
• InChI Key: ZSSNGMFKYFBOAG-UHFFFAOYSA-N
• Complexity: 174
• Covalently-Bonded Unit Count: 1
• Exact Mass: 180.059389g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 180.059389g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of 4-Methoxy-2-formylphenylboronic acid?

The molecular formula is C8H9BO4.

What is the molecular weight of 4-Methoxy-2-formylphenylboronic acid?

The molecular weight is 179.97 g/mol.

What is the IUPAC name of 4-Methoxy-2-formylphenylboronic acid?

The IUPAC name is (2-formyl-4-methoxyphenyl)boronic acid.

What is the InChI of 4-Methoxy-2-formylphenylboronic acid?

The InChI is InChI=1S/C8H9BO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5,11-12H,1H3.

What is the InChIKey of 4-Methoxy-2-formylphenylboronic acid?

The InChIKey is ZSSNGMFKYFBOAG-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Methoxy-2-formylphenylboronic acid?

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

What is the CAS number of 4-Methoxy-2-formylphenylboronic acid?

The CAS number is 139962-95-1.

What is the DSSTox Substance ID of 4-Methoxy-2-formylphenylboronic acid?

The DSSTox Substance ID is DTXSID00370255.

Is 4-Methoxy-2-formylphenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.