Structure

4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane

CAS
915402-05-0
Catalog Number
ACM915402050
Category
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What is the molecular formula of 4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane?

The molecular formula is C16H21BO3.

What are some synonyms for 4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane?

Some synonyms include 915402-05-0 and 4-(Cyclopropylcarbonyl)phenylboronic acid pinacol ester.

What is the molecular weight of 4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane?

The molecular weight is 272.1 g/mol.

What is the InChIKey for 4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane?

The InChIKey is TXKSCAGVSMSVQZ-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)C3CC3.

How many hydrogen bond acceptor counts does 4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane have?

It has 3 hydrogen bond acceptor counts.

What is the exact mass of 4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane?

The exact mass is 272.1583747 g/mol.

How many rotatable bond counts does 4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane have?

It has 3 rotatable bond counts.

What is the topological polar surface area of 4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane?

The topological polar surface area is 35.5 Å^2.

Is 4,4,5,5-Tetramethyl-2-(4-cyclopropylcarbonylphenyl)-[1,3,2]dioxaborolane a canonicalized compound?

Yes, the compound is canonicalized.

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