4-Hydroxyphenylboronic acid pinacol ester

• Catalog Number: ACM269409703-1
• Product Name: 4-Hydroxyphenylboronic acid pinacol ester
• CAS: 269409-70-3
• Category: Other
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• Molecular Weight: 220.07g/mol
• Molecular Formula: C12H17BO3
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O
• InChI: InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3
• InChI Key: BICZJRAGTCRORZ-UHFFFAOYSA-N
• Complexity: 241
• Covalently-Bonded Unit Count: 1
• Exact Mass: 220.127075g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 16
• Monoisotopic Mass: 220.127075g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the PubChem CID of 4-Hydroxyphenylboronic acid pinacol ester?

PubChem CID 2734624.

What is the molecular formula of 4-Hydroxyphenylboronic acid pinacol ester?

The molecular formula is C12H17BO3.

What is the molecular weight of 4-Hydroxyphenylboronic acid pinacol ester?

The molecular weight is 220.07 g/mol.

What is the IUPAC name of 4-Hydroxyphenylboronic acid pinacol ester?

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

What is the InChI of 4-Hydroxyphenylboronic acid pinacol ester?

The InChI is InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3.

What is the InChIKey of 4-Hydroxyphenylboronic acid pinacol ester?

The InChIKey is BICZJRAGTCRORZ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Hydroxyphenylboronic acid pinacol ester?

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

What is the CAS number of 4-Hydroxyphenylboronic acid pinacol ester?

The CAS number is 269409-70-3.

What is the European Community (EC) number of 4-Hydroxyphenylboronic acid pinacol ester?

The European Community (EC) number is 627-688-0.

Is 4-Hydroxyphenylboronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.