3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester

• CAS: 269410-25-5
• Catalog Number: ACM269410255
• Category: Other
• Molecular Weight: 248.13g/mol
• Molecular Formula: C14H21BO3
• IUPAC Name: 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)O)C
• InChI: InChI=1S/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
• InChI Key: TYCKOBOJYNRIBO-UHFFFAOYSA-N
• Complexity: 288
• Covalently-Bonded Unit Count: 1
• Exact Mass: 248.158375g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 18
• Monoisotopic Mass: 248.158375g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester?

The molecular formula is C14H21BO3.

What is the molecular weight of 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester?

The molecular weight is 248.13 g/mol.

What is the IUPAC name of 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester?

The IUPAC name is 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

What is the InChI of 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester?

The InChI is InChI=1S/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3.

What is the InChIKey of 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester?

The InChIKey is TYCKOBOJYNRIBO-UHFFFAOYSA-N.

What is the canonical SMILES of 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)O)C.

What is the CAS number of 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester?

The CAS number is 269410-25-5.

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

The EC number is 671-675-2.

What is the DSSTox Substance ID of 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester?

The DSSTox Substance ID is DTXSID20370419.

Is 3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester canonicalized?

Yes, it is canonicalized.