3,5-Pyridinedicarboxylic acid, monomethyl ester

Base Information

• Chemical Name: 3,5-Pyridinedicarboxylic acid, monomethyl ester
• CAS No.: 53865-12-6
• Molecular Formula: C8H6NO4
• DSSTox Substance ID: DTXSID301208208

Synonyms:3,5-Pyridinedicarboxylic acid, monomethyl ester;DTXSID301208208;AKOS028109938;53865-12-6;3,5-Pyridinedicarboxylic acid, 3-methyl ester, ion(1-)

Chemical Property of 3,5-Pyridinedicarboxylic acid, monomethyl ester

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 180.02968267
• Heavy Atom Count: 13
• Complexity: 211

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MSDS Files:

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• Canonical SMILES: COC(=O)C1=CN=CC(=C1)C(=O)[O-]

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