4-Carboxylphenylboronic acid pinacol ester

• CAS: 180516-87-4
• Catalog Number: ACM180516874
• Category: Boronic Acids
• Molecular Weight: 248.08g/mol
• Molecular Formula: C13H17BO4
• Synonyms: 4-CARBOXYBENZENEBORONIC ACID PINACOL CYCLIC ESTER;4-CARBOXYPHENYLBORONIC ACID PINACOLATE;4-CARBOXYPHENYLBORONIC ACID, PINACOL CYCLIC ESTER;4-CARBOXYPHENYLBORONIC ACID, PINACOL ESTER;4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID;[4-(4,4,5,5-T
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)O
• InChI: InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
• InChI Key: IYDKBQIEOBXLTP-UHFFFAOYSA-N
• Complexity: 316
• 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 PubChem CID of 4-Carboxylphenylboronic acid pinacol ester?

The PubChem CID of 4-Carboxylphenylboronic acid pinacol ester is 2734621.

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

The molecular formula of 4-Carboxylphenylboronic acid pinacol ester is C13H17BO4.

When was 4-Carboxylphenylboronic acid pinacol ester created?

4-Carboxylphenylboronic acid pinacol ester was created on July 19, 2005.

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

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

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

The InChIKey of 4-Carboxylphenylboronic acid pinacol ester is IYDKBQIEOBXLTP-UHFFFAOYSA-N.

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

The molecular weight of 4-Carboxylphenylboronic acid pinacol ester is 248.08 g/mol.

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

The CAS number of 4-Carboxylphenylboronic acid pinacol ester is 180516-87-4.

How many hydrogen bond donor counts does 4-Carboxylphenylboronic acid pinacol ester have?

4-Carboxylphenylboronic acid pinacol ester has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 4-Carboxylphenylboronic acid pinacol ester have?

4-Carboxylphenylboronic acid pinacol ester has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-Carboxylphenylboronic acid pinacol ester?

The topological polar surface area of 4-Carboxylphenylboronic acid pinacol ester is 55.8Ų.