3-Carboxyphenylboronic acid pinacol ester

• Catalog Number: ACM269409736
• Product Name: 3-Carboxyphenylboronic acid pinacol ester
• CAS: 269409-73-6
• Category: Boronic Acids
• Synonyms: 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID;3-CARBOXYPHENYLBORONIC ACID, PINACOL ESTER;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid,min.97%;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID, MIN. 97%;3-(4,4,5,5-Tetr
• IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
• Molecular Weight: 248.08g/mol
• Molecular Formula: C13H17BO4
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)O
• InChI: InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
• InChI Key: OPWAPCOSDAFWFB-UHFFFAOYSA-N
• Complexity: 324
• Covalently-Bonded Unit Count: 1
• Exact Mass: 248.121989g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 18
• Monoisotopic Mass: 248.121989g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 3-Carboxyphenylboronic acid pinacol ester?

The molecular formula of 3-Carboxyphenylboronic acid pinacol ester is C13H17BO4.

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

The molecular weight of 3-Carboxyphenylboronic acid pinacol ester is 248.08 g/mol.

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

The IUPAC name of 3-Carboxyphenylboronic acid pinacol ester is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid.

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

The InChI of 3-Carboxyphenylboronic acid pinacol ester is InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16).

What is the InChIKey of 3-Carboxyphenylboronic acid pinacol ester?

The InChIKey of 3-Carboxyphenylboronic acid pinacol ester is OPWAPCOSDAFWFB-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Carboxyphenylboronic acid pinacol ester?

The canonical SMILES of 3-Carboxyphenylboronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)O.

What is the CAS number of 3-Carboxyphenylboronic acid pinacol ester?

The CAS number of 3-Carboxyphenylboronic acid pinacol ester is 269409-73-6.

What is the European Community (EC) number of 3-Carboxyphenylboronic acid pinacol ester?

The European Community (EC) number of 3-Carboxyphenylboronic acid pinacol ester is 671-852-4.

What is the ChEMBL ID of 3-Carboxyphenylboronic acid pinacol ester?

The ChEMBL ID of 3-Carboxyphenylboronic acid pinacol ester is CHEMBL573441.

What is the formal charge of 3-Carboxyphenylboronic acid pinacol ester?

The formal charge of 3-Carboxyphenylboronic acid pinacol ester is 0.