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Structure

6-(3-Hydroxypyrrolidin-1-yl)pyridine-2-boronicacidpinacolester

CAS
1310383-03-9
Catalog Number
ACM1310383039
Category
Boronic Esters

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What is the molecular formula of the compound with PubChem CID 53398492?

The molecular formula is C15H23BN2O3.

What is the molecular weight of the compound?

The molecular weight is 290.17 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]pyrrolidin-3-ol.

What is the Canonical SMILES of the compound?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=NC(=CC=C2)N3CCC(C3)O.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

What is the exact mass of the compound?

The exact mass is 290.1801728 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area is 54.8 Ų.

How many heavy atoms does the compound have?

The compound has 21 heavy atoms.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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