Propanedioic acid, (dicyanomethylene)-, dimethyl ester

Base Information

• Chemical Name: Propanedioic acid, (dicyanomethylene)-, dimethyl ester
• CAS No.: 82849-49-8
• Molecular Formula: C8H6N2O4
• Molecular Weight: 194.147
• DSSTox Substance ID: DTXSID50415862
• Nikkaji Number: J426.914D
• Wikidata: Q82224905

Synonyms:82849-49-8;Propanedioic acid, (dicyanomethylene)-, dimethyl ester;DTXSID50415862;trans-Dicyanethylendicarbonsauredimethylester;(Dicyanomethylene)malonic acid dimethyl ester;InChI=1/C8H6N2O4/c1-13-7(11)6(8(12)14-2)5(3-9)4-10/h1-2H

Chemical Property of Propanedioic acid, (dicyanomethylene)-, dimethyl ester

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 194.03275668
• Heavy Atom Count: 14
• Complexity: 354

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=C(C#N)C#N)C(=O)OC

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