dipotassium4-[3-(4-carboxylato-3-nitrophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate

dipotassium;4-[3-(4-carboxylato-3-nitrophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate

CAS: 78472-95-4

Molecular Formula	`C27H16K2N4O13`
Molecular Weight	682.6 g/mol
Topological Polar Surface Area	248.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	13
Rotatable Bonds	5
Exact Mass	681.9988
Heavy Atoms	46
Complexity	1160.0

Chemical Identifiers

CAS Number	78472-95-4
SMILES	`COC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)[O-])[N+](=O)[O-])C4=CC(=C(C=C4)C(=O)[O-])[N+](=O)[O-])OC.[K+].[K+]`
InChIKey	`IISCFYNLVBFYID-UHFFFAOYSA-L`

📖 Product Overview

dipotassium4-[3-(4-carboxylato-3-nitrophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate (CAS: 78472-95-4) is a chemical compound with molecular formula C27H16K2N4O13 and molecular weight 682.6 g/mol. Its IUPAC systematic name is dipotassium;4-[3-(4-carboxylato-3-nitrophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate. Topological Polar Surface Area 248.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 13 Rotatable Bonds 5 Exact Mass 681.9988 Heavy Atoms 46 Complexity 1160.0 InChI Key: IISCFYNLVBFYID-UHFFFAOYSA-L. SMILES: COC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)[O-])[N+](=O)[O-])C4=CC(=C(C=C4)C(=O)[O-])[N+](=O)[O-])OC.[K+].[K+].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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