3-Benzyloxy-4-methoxycarbonylphenylboronic acid, pinacol ester

• CAS: 1073355-16-4
• Catalog Number: ACM1073355164-1
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of 3-Benzyloxy-4-methoxycarbonylphenylboronic acid, pinacol ester?

The molecular formula is C21H25BO5.

What are some synonyms for 3-Benzyloxy-4-methoxycarbonylphenylboronic acid, pinacol ester?

Some synonyms include Methyl 2-(benzyloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate and 3-Benzyloxy-4-methoxycarbonylphenylboronic acid pinacol ester.

When was 3-Benzyloxy-4-methoxycarbonylphenylboronic acid, pinacol ester created and last modified in the database?

It was created on 2010-03-14 and last modified on 2023-12-02.

What is the computed IUPAC name of 3-Benzyloxy-4-methoxycarbonylphenylboronic acid, pinacol ester?

The computed IUPAC name is methyl 2-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.

What is the InChIKey of 3-Benzyloxy-4-methoxycarbonylphenylboronic acid, pinacol ester?

The InChIKey is PBHDAXIPBGMAKU-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 3-Benzyloxy-4-methoxycarbonylphenylboronic acid, pinacol ester?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)OCC3=CC=CC=C3.

What is the molecular weight of 3-Benzyloxy-4-methoxycarbonylphenylboronic acid, pinacol ester?

The molecular weight is 368.2 g/mol.

How many hydrogen bond acceptors are there in the compound?

There are 5 hydrogen bond acceptors.

How many rotatable bonds are present in 3-Benzyloxy-4-methoxycarbonylphenylboronic acid, pinacol ester?

There are 6 rotatable bonds.

Is 3-Benzyloxy-4-methoxycarbonylphenylboronic acid, pinacol ester a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound according to PubChem.