Einecs 269-846-8

Base Information

• Chemical Name: Einecs 269-846-8
• CAS No.: 68340-26-1
• Molecular Formula: C21H17N3O6
• Molecular Weight: 407.3762
• European Community (EC) Number: 269-846-8
• DSSTox Substance ID: DTXSID40218480

Synonyms:EINECS 269-846-8;68340-26-1;Benzene-1,2,4-tricarboxylic acid, compound with 2-phenyl-1H-imidazole-1-propiononitrile;SCHEMBL441418;C12H11N3.xC9H6O6;DTXSID40218480;C12-H11-N3.x-C9-H6-O6

Chemical Property of Einecs 269-846-8

Chemical Property:

• Boiling Point: 418.3°Cat760mmHg
• Flash Point: 206.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 407.11173527
• Heavy Atom Count: 30
• Complexity: 534

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=CN2CCC#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

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