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Structure

2-Methyl-6-methoxypyridine-3-boronic acid

CAS
459856-12-3
Catalog Number
ACM459856123
Category
Boronic Acids
Molecular Weight
166.97
Molecular Formula
C7H10BNO3

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Specification

Synonyms
459856-12-3, 2-METHYL-6-METHOXYPYRIDINE-3-BORONIC ACID, 6-Methoxy-2-methylpyridin-3-ylboronic acid, 6-Methoxy-2-picoline-3-boronic acid, 3-Borono-6-methoxy-2-methylpyridine, AG-F-58752, (6-methoxy-2-methylpyridin-3-yl)boranediol, (6-methoxy-2-methylpyridin-3-yl)boronic acid, PubChem10535, AC1MC7SQ, ACMC-1BNC5, SureCN248283, AC1Q49GX, (6-methoxy-2-methyl-pyridin-3-yl)boronic Acid, CTK4I9057, MolPort-002-041-389, ANW-30387, SBB071128, AKOS006295187, AB21731
IUPAC Name
(6-methoxy-2-methylpyridin-3-yl)boronic acid
Canonical SMILES
B(C1=C(N=C(C=C1)OC)C)(O)O
InChI Key
CWXWIICBKIHZFC-UHFFFAOYSA-N
Boiling Point
318.9ºC at 760mmHg
Flash Point
146.7ºC
Density
1.2g/cm³
Exact Mass
167.07500
H-Bond Acceptor
4
H-Bond Donor
2
What is the IUPAC name of the compound?

The IUPAC name of the compound is (6-methoxy-2-methylpyridin-3-yl)boronic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C7H10BNO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 166.97 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 459856-12-3.

How many hydrogen bond donor atoms are present in the compound?

There are 2 hydrogen bond donor atoms present in the compound.

How many hydrogen bond acceptor atoms are present in the compound?

There are 4 hydrogen bond acceptor atoms present in the compound.

How many rotatable bonds are there in the compound?

There are 2 rotatable bonds in the compound.

What is the exact mass of the compound?

The exact mass of the compound is 167.0753733 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 62.6Ų.

Is the compound a canonicalized form?

Yes, the compound is in its canonicalized form.

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