4-Oxo-4,5-dihydropyridine-3-carboxylic acid

Base Information

• Chemical Name: 4-Oxo-4,5-dihydropyridine-3-carboxylic acid
• CAS No.: 120382-08-3
• Molecular Formula: C6H5 N O3
• Molecular Weight: 139.11
• DSSTox Substance ID: DTXSID10597774
• Wikidata: Q82493413
• Mol file: 120382-08-3.mol

Synonyms:120382-08-3;4-oxo-3H-pyridine-5-carboxylic acid;3-Pyridinecarboxylicacid,4,5-dihydro-4-oxo-(9CI);4-Oxo-4,5-dihydropyridine-3-carboxylic acid;3-pyridinecarboxylic acid,4,5-dihydro-4-oxo-;SCHEMBL3128822;DTXSID10597774

Chemical Property of 4-Oxo-4,5-dihydropyridine-3-carboxylic acid

Chemical Property:

• PSA: 66.73000
• LogP: -0.56590
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 139.026943022
• Heavy Atom Count: 10
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=NC=C(C1=O)C(=O)O