4-Acetoxybenzeneboronic acid pinacol ester

• Catalog Number: ACM480424702
• Product Name: 4-Acetoxybenzeneboronic acid pinacol ester
• CAS: 480424-70-2
• Category: Other
• Synonyms: 4-ACETOXYPHENYLBORONIC ACID, PINACOL ESTER;4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenylacetate,min.97%;4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE, MIN. 97%;4-(4,4,5,
• IUPAC Name: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
• Molecular Weight: 262.11g/mol
• Molecular Formula: C14H19BO4
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(=O)C
• InChI: InChI=1S/C14H19BO4/c1-10(16)17-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3
• InChI Key: KHBAJCWEQNVCSN-UHFFFAOYSA-N
• Complexity: 329
• 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 molecular formula of 4-Acetoxybenzeneboronic acid pinacol ester?

The molecular formula of 4-Acetoxybenzeneboronic acid pinacol ester is C14H19BO4.

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

The molecular weight of 4-Acetoxybenzeneboronic acid pinacol ester is 262.11 g/mol.

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

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

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

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

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

The InChIKey of 4-Acetoxybenzeneboronic acid pinacol ester is KHBAJCWEQNVCSN-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Acetoxybenzeneboronic acid pinacol ester?

The Canonical SMILES of 4-Acetoxybenzeneboronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(=O)C.

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

The CAS number of 4-Acetoxybenzeneboronic acid pinacol ester is 480424-70-2.

What is the European Community (EC) Number of 4-Acetoxybenzeneboronic acid pinacol ester?

The European Community (EC) Number of 4-Acetoxybenzeneboronic acid pinacol ester is 808-214-3.

What is the DSSTox Substance ID of 4-Acetoxybenzeneboronic acid pinacol ester?

The DSSTox Substance ID of 4-Acetoxybenzeneboronic acid pinacol ester is DTXSID80378830.

Is 4-Acetoxybenzeneboronic acid pinacol ester a canonicalized compound?

Yes, 4-Acetoxybenzeneboronic acid pinacol ester is a canonicalized compound.