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Structure

2-Pyridinylboronic acid MIDA ester

CAS
1104637-58-2
Catalog Number
ACM1104637582
Category
Other Products; Boronic Acids
Molecular Weight
234.02
Molecular Formula
C10H11BN2O4

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Specification

Synonyms
2-Pyridinylboronic acid MIDA ester, 1104637-58-2, MolPort-027-835-235, AKOS016009109, AK109837, SC-50413, 4-methyl-8-(pyridin-2-yl)dihydro-4l4,8l4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione
IUPAC Name
1-methyl-5-pyridin-2-yl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octane-3,7-dione
Canonical SMILES
[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC=CC=N3
InChI Key
JCMMQAGYOWKSFX-UHFFFAOYSA-N
Exact Mass
234.08100
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of 2-Pyridinylboronic acid MIDA ester?

The molecular formula of 2-Pyridinylboronic acid MIDA ester is C10H11BN2O4.

What is the molecular weight of 2-Pyridinylboronic acid MIDA ester?

The molecular weight of 2-Pyridinylboronic acid MIDA ester is 234.02 g/mol.

What is the IUPAC name of 2-Pyridinylboronic acid MIDA ester?

The IUPAC name of 2-Pyridinylboronic acid MIDA ester is 5-methyl-1-pyridin-2-yl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione.

What is the InChI of 2-Pyridinylboronic acid MIDA ester?

The InChI of 2-Pyridinylboronic acid MIDA ester is InChI=1S/C10H11BN2O4/c1-13-6-9(14)16-11(13,17-10(15)7-13)8-4-2-3-5-12-8/h2-5H,6-7H2,1H3.

What is the InChIKey of 2-Pyridinylboronic acid MIDA ester?

The InChIKey of 2-Pyridinylboronic acid MIDA ester is JCMMQAGYOWKSFX-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Pyridinylboronic acid MIDA ester?

The canonical SMILES of 2-Pyridinylboronic acid MIDA ester is [B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC=CC=N3.

What is the hydrogen bond donor count of 2-Pyridinylboronic acid MIDA ester?

The hydrogen bond donor count of 2-Pyridinylboronic acid MIDA ester is 0.

What is the hydrogen bond acceptor count of 2-Pyridinylboronic acid MIDA ester?

The hydrogen bond acceptor count of 2-Pyridinylboronic acid MIDA ester is 6.

How many rotatable bonds are there in 2-Pyridinylboronic acid MIDA ester?

There is 1 rotatable bond in 2-Pyridinylboronic acid MIDA ester.

What is the topological polar surface area of 2-Pyridinylboronic acid MIDA ester?

The topological polar surface area of 2-Pyridinylboronic acid MIDA ester is 65.5Ų.

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