2,3-Dihydropyridine-2,6-dicarboxylic acid

Base Information

• Chemical Name: 2,3-Dihydropyridine-2,6-dicarboxylic acid
• CAS No.: 16052-12-3
• Molecular Formula: C7H7 N O4
• Molecular Weight: 169.13
• DSSTox Substance ID: DTXSID50274254
• Nikkaji Number: J793.979E
• Wikidata: Q27120920
• Mol file: 16052-12-3.mol

Synonyms:2,3-dihydropyridine-2,6-dicarboxylic acid;dihydrodipicolinate;16052-12-3;2,3-di-H-dipicolinate;2,3-dihydrodipicolinic acid;SCHEMBL346874;CHEBI:48052;DTXSID50274254;2,6-Pyridinedicarboxylic acid, 2,3-dihydro-;Q27120920

Chemical Property of 2,3-Dihydropyridine-2,6-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 5.42E-09mmHg at 25°C
• Boiling Point: 440.5°Cat760mmHg
• PKA: -2.15±0.40(Predicted)
• Flash Point: 220.2°C
• PSA: 86.96000
• Density: 1.53g/cm³
• LogP: -0.63930
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 169.03750770
• Heavy Atom Count: 12
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC(=NC1C(=O)O)C(=O)O