Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate

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CAS
94088-41-2
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Purity
96%
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Catalog Number

ACM94088412

Product Name

Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate

Structure

Structure

CAS

94088-41-2

Category

Heterocyclic Organic Compound

Synonyms

EINECS 302-041-2, 94088-41-2, Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulphonate

IUPAC Name

sodium (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-hydroxymethanesulfonate

Molecular Weight

320.296790 [g/mol]

Molecular Formula

C₁₂H₁₄N₂O₅SNa

Canonical SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(O)S(=O)(=O)[O-].[Na+]

InChI Key

QSWGFQRUXYZFIS-UHFFFAOYSA-M

EC Number

302-041-2

Exact Mass

320.04400

H-Bond Acceptor

6

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate?

The molecular formula is C12H13N2NaO5S.

When was Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate created?

It was created on February 5, 2008.

What is the molecular weight of Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate?

The molecular weight is 320.30 g/mol.

What are some synonyms for Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate?

Some synonyms include EINECS 302-041-2, 94088-41-2, and DTXSID10916527.

What are some component compounds of Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate?

Some component compounds include Sodium and ((1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-hydroxymethanesulfonic acid).

What is the IUPAC name of Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate?

The IUPAC name is sodium;(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-hydroxymethanesulfonate.

What is the InChIKey of Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate?

The InChIKey is QSWGFQRUXYZFIS-UHFFFAOYSA-M.

How many hydrogen bond donor counts does Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate?

The topological polar surface area is 109 Å^2.

Is Sodium 2,3-dihydro-alpha-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulfonate a canonicalized compound?

Yes, it is a canonicalized compound.

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