Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate

CAS
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CAS
94134-37-9
Size
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Purity
96%
Price
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Catalog Number

ACM94134379

Product Name

Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate

Structure

Structure

CAS

94134-37-9

Category

Heterocyclic Organic Compound

Synonyms

EINECS 302-805-5, CID419140, NSC111121, Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate, 94134-37-9

IUPAC Name

4-methoxy-3-[[3-(3-nitrophenyl)-3-oxopropanoyl]amino]benzenesulfonic acid

Molecular Weight

394.355960 [g/mol]

Molecular Formula

C₁₆H₁₄N₂O₈SNa

Canonical SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[O-])NC(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Na+]

InChI Key

GYMDXZVEVWMFOG-UHFFFAOYSA-N

Density

1.534g/cm³

EC Number

302-805-5

Exact Mass

417.03700

H-Bond Acceptor

8

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate?

The molecular formula is C16H13N2NaO8S.

What is the molecular weight of Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate?

The molecular weight is 416.3 g/mol.

What are the synonyms for Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate?

The synonyms are SODIUM 4-METHOXY-3-[[3-(3-NITROPHENYL)-1,3-DIOXOPROPYL]AMINO]BENZENESULFONATE.

When was Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate created?

It was created on December 5, 2007.

What is the InChIKey for Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate?

The InChIKey is LMKXLWOKWIILGQ-UHFFFAOYSA-M.

How many hydrogen bond donor counts does Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate have?

It has 1 hydrogen bond donor count.

What is the hydrogen bond acceptor count for Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate?

The hydrogen bond acceptor count is 8.

What is the exact mass of Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate?

The exact mass is 416.02903083 g/mol.

How many rotatable bond counts does Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate have?

It has 5 rotatable bond counts.

Is the compound canonicalized for Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonate?

Yes, the compound is canonicalized.

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