4-(Carboxymethyl)phenylboronic acid pinacol ester

• CAS: 797755-07-8
• Catalog Number: ACM797755078
• Category: Boronic Esters
• Molecular Weight: 262.11g/mol
• Molecular Formula: C14H19BO4
• IUPAC Name: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)O
• InChI: InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-7-5-10(6-8-11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
• InChI Key: FNLWHBHWDXCWHV-UHFFFAOYSA-N
• Complexity: 329
• Covalently-Bonded Unit Count: 1
• Exact Mass: 262.137639g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 19
• Monoisotopic Mass: 262.137639g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of 4-(Carboxymethyl)phenylboronic acid pinacol ester?

The molecular formula of 4-(Carboxymethyl)phenylboronic acid pinacol ester is C14H19BO4.

What are some synonyms of 4-(Carboxymethyl)phenylboronic acid pinacol ester?

Some synonyms include 797755-07-8, Phenylacetic acid-4-boronic acid pinacol ester, and 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetic acid.

What is the molecular weight of 4-(Carboxymethyl)phenylboronic acid pinacol ester?

The molecular weight is 262.11 g/mol.

What is the InChIKey of 4-(Carboxymethyl)phenylboronic acid pinacol ester?

The InChIKey is FNLWHBHWDXCWHV-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4-(Carboxymethyl)phenylboronic acid pinacol ester have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-(Carboxymethyl)phenylboronic acid pinacol ester?

The topological polar surface area is 55.8Ų.

How many rotatable bond counts does 4-(Carboxymethyl)phenylboronic acid pinacol ester have?

It has 3 rotatable bond counts.

Is 4-(Carboxymethyl)phenylboronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.

What is the exact mass of 4-(Carboxymethyl)phenylboronic acid pinacol ester?

The exact mass is 262.1376392 g/mol.

How many covalently-bonded unit counts does 4-(Carboxymethyl)phenylboronic acid pinacol ester have?

It has 1 covalently-bonded unit count.