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Structure

(3-Formylphenyl)boronic acid pinacol ester

CAS
380151-86-0
Catalog Number
ACM380151860
Category
Other

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What is the molecular formula of (3-Formylphenyl)boronic acid pinacol ester?

The molecular formula is C13H17BO3.

What is the molecular weight of (3-Formylphenyl)boronic acid pinacol ester?

The molecular weight is 232.09 g/mol.

What is the IUPAC name of (3-Formylphenyl)boronic acid pinacol ester?

The IUPAC name is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde.

What is the InChI of (3-Formylphenyl)boronic acid pinacol ester?

The InChI is InChI=1S/C13H17BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-9H,1-4H3.

What is the InChIKey of (3-Formylphenyl)boronic acid pinacol ester?

The InChIKey is IFYMOLFMYIDYEN-UHFFFAOYSA-N.

What is the canonical SMILES of (3-Formylphenyl)boronic acid pinacol ester?

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

Is (3-Formylphenyl)boronic acid pinacol ester listed in the CAS registry?

Yes, (3-Formylphenyl)boronic acid pinacol ester is listed in the CAS registry as 380151-86-0.

What is the DSSTox Substance ID of (3-Formylphenyl)boronic acid pinacol ester?

The DSSTox Substance ID is DTXSID00375240.

How many hydrogen bond donor counts does (3-Formylphenyl)boronic acid pinacol ester have?

It has 0 hydrogen bond donor counts.

What is the topological polar surface area of (3-Formylphenyl)boronic acid pinacol ester?

The topological polar surface area is 35.5Ų.

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