3,5-Dimethyl-4-methoxyphenylboronic acid

• CAS: 301699-39-8
• Catalog Number: ACM301699398
• Category: Boronic Acids
• Molecular Weight: 180.01g/mol
• Molecular Formula: C9H13BO3
• IUPAC Name: (4-methoxy-3,5-dimethylphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=C(C(=C1)C)OC)C)(O)O
• InChI: InChI=1S/C9H13BO3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5,11-12H,1-3H3
• InChI Key: WZUCSPWZHRVOSD-UHFFFAOYSA-N
• Complexity: 151
• Covalently-Bonded Unit Count: 1
• Exact Mass: 180.095774g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 180.095774g/mol
• Rotatable Bond Count: 2

Custom Q&A

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

The molecular formula is C9H13BO3.

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

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

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

The InChI is InChI=1S/C9H13BO3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5,11-12H,1-3H3.

What is the InChIKey of 3,5-Dimethyl-4-methoxyphenylboronic acid?

The InChIKey is WZUCSPWZHRVOSD-UHFFFAOYSA-N.

What is the canonical SMILES of 3,5-Dimethyl-4-methoxyphenylboronic acid?

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

What is the CAS number of 3,5-Dimethyl-4-methoxyphenylboronic acid?

The CAS number is 301699-39-8.

What is the European Community (EC) number of 3,5-Dimethyl-4-methoxyphenylboronic acid?

The EC number is 627-465-8.

What is the DSSTox Substance ID of 3,5-Dimethyl-4-methoxyphenylboronic acid?

The DSSTox Substance ID is DTXSID20396836.

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

The molecular weight is 180.01 g/mol.

Is 3,5-Dimethyl-4-methoxyphenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.