Benzaldehyde,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-

Name: Benzaldehyde,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
SKU: ACM95752866
Rating: 5 (1 reviews)

CAS

95752-86-6

Catalog Number

ACM95752866

Category

Other Products

Molecular Weight

218.06

Molecular Formula

C₁₂H₁₅BO₃

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Specification

Synonyms

95752-86-6, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde, 2-Formylbenzeneboronic acid 2,2-dimethylpropanediol-1,3 cyclic ester, AC1N5NPN, CTK8B3953, MolPort-001-768-224, ANW-43538, OR3975, AB17276, AG-H-93776, FT-0642311, B-1241, 2-Formylphenylboronic acid neopentyl glycol ester, 2-BORONOBENZALDEHYDE NEOPENTYL GLYCOL ESTER, A845455, 2-Formylbenzeneboronic acid, neopentyl glycol ester, 2-Formylphenylboronic acid, neopentyl glycol ester,, 2-FORMYLBENZENEBORONIC ACID NEOPENTYL GLYCOL ESTER, (2-FORMYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER, 2-FORMYLPHENYLBORONIC ACID 2,2-DIMETHYLPROPANEDIOL-1,3 CYCLIC ESTER

IUPAC Name

2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde

Canonical SMILES

B1(OCC(CO1)(C)C)C2=CC=CC=C2C=O

InChI Key

BJRXNDLMZZAOAB-UHFFFAOYSA-N

Boiling Point

355.6ºC at 760mmHg

Flash Point

168.8ºC

Density

1.08g/cm³

Exact Mass

218.11100

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?

The molecular formula is C12H15BO3.

What is the molecular weight of 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?

The molecular weight is 218.06 g/mol.

What are some synonyms for 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?

Some synonyms include 2-formylphenylboronic acid, neopentyl glycol ester, 2-formylbenzeneboronic acid, and more.

When was 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde created in PubChem?

It was created on September 13, 2005.

What is the InChIKey for 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?

The InChIKey is BJRXNDLMZZAOAB-UHFFFAOYSA-N.

How many hydrogen bond acceptors does 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde have?

It has 3 hydrogen bond acceptors.

What is the topological polar surface area of 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?

The topological polar surface area is 35.5 Å².

Does 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde have any defined atom stereocenter count?

No, it does not have any defined atom stereocenter count.

How many covalently-bonded units are there in 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?

There is 1 covalently-bonded unit.

Is 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde a canonicalized compound?

Yes, it is a canonicalized compound.