3,4-Pyridinedicarboxylic acid, dimethyl ester, 1-oxide

Base Information

• Chemical Name: 3,4-Pyridinedicarboxylic acid, dimethyl ester, 1-oxide
• CAS No.: 89663-05-8
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.17100
• DSSTox Substance ID: DTXSID50452156
• Wikidata: Q82272586

Synonyms:3,4-Pyridinedicarboxylic acid, dimethyl ester, 1-oxide;89663-05-8;SCHEMBL1011953;DTXSID50452156;SY320519;3,4-Bis(methoxycarbonyl)pyridine 1-Oxide

Chemical Property of 3,4-Pyridinedicarboxylic acid, dimethyl ester, 1-oxide

Chemical Property:

• PSA: 78.06000
• LogP: 0.68830
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=[N+](C=C1)[O-])C(=O)OC

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