3-Acetoxybenzeneboronic acid pinacol ester

• CAS: 480424-69-9
• Catalog Number: ACM480424699-1
• Category: Other
• Molecular Weight: 262.11g/mol
• Molecular Formula: C14H19BO4
• IUPAC Name: [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC(=O)C
• InChI: InChI=1S/C14H19BO4/c1-10(16)17-12-8-6-7-11(9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3
• InChI Key: YJDMBSCTYDVXPH-UHFFFAOYSA-N
• Complexity: 337
• Covalently-Bonded Unit Count: 1
• Exact Mass: 262.137639g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Monoisotopic Mass: 262.137639g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the chemical formula of 3-Acetoxybenzeneboronic acid pinacol ester?

The chemical formula of 3-Acetoxybenzeneboronic acid pinacol ester is C14H19BO4.

What is the molecular weight of 3-Acetoxybenzeneboronic acid pinacol ester?

The molecular weight of 3-Acetoxybenzeneboronic acid pinacol ester is 262.11 g/mol.

What is the IUPAC name of 3-Acetoxybenzeneboronic acid pinacol ester?

The IUPAC name of 3-Acetoxybenzeneboronic acid pinacol ester is [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate.

What is the InChI of 3-Acetoxybenzeneboronic acid pinacol ester?

The InChI of 3-Acetoxybenzeneboronic acid pinacol ester is InChI=1S/C14H19BO4/c1-10(16)17-12-8-6-7-11(9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3.

Does 3-Acetoxybenzeneboronic acid pinacol ester have hydrogen bond donor count?

No, 3-Acetoxybenzeneboronic acid pinacol ester does not have a hydrogen bond donor count.

How many hydrogen bond acceptors does 3-Acetoxybenzeneboronic acid pinacol ester have?

3-Acetoxybenzeneboronic acid pinacol ester has 4 hydrogen bond acceptors.

How many rotatable bonds does 3-Acetoxybenzeneboronic acid pinacol ester have?

3-Acetoxybenzeneboronic acid pinacol ester has 3 rotatable bonds.

What is the topological polar surface area of 3-Acetoxybenzeneboronic acid pinacol ester?

The topological polar surface area of 3-Acetoxybenzeneboronic acid pinacol ester is 44.8Ų.

How many heavy atoms does 3-Acetoxybenzeneboronic acid pinacol ester have?

3-Acetoxybenzeneboronic acid pinacol ester has 19 heavy atoms.

Is 3-Acetoxybenzeneboronic acid pinacol ester a canonicalized compound?

Yes, 3-Acetoxybenzeneboronic acid pinacol ester is a canonicalized compound.