2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

Base Information

• Chemical Name: 2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
• CAS No.: 106551-76-2
• Molecular Formula: C₁₀H₉NO₄
• Molecular Weight: 207.186
• Hs Code.: 2933499090
• European Community (EC) Number: 852-478-2
• ChEMBL ID: CHEMBL314235
• DSSTox Substance ID: DTXSID90543173
• Nikkaji Number: J558.060I
• Wikidata: Q82420007
• Mol file: 106551-76-2.mol

Synonyms:106551-76-2;2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid;2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid;2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLICACID;CHEMBL314235;SCHEMBL9802503;DTXSID90543173;2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylic acid;MFCD03423969;AKOS001386613;VS-01918;CS-0077292;EN300-26864;D73883;Z234986250;3-Quinolinecarboxylicacid,1,2,5,6,7,8-hexahydro-2,5-dioxo-

Chemical Property of 2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

Chemical Property:

• Melting Point: 298 °C(Solv: ethanol (64-17-5))
• Boiling Point: 503.9±50.0 °C(Predicted)
• PKA: 2.37±0.20(Predicted)
• PSA: 87.23000
• Density: 1.48±0.1 g/cm3(Predicted)
• LogP: 0.59210
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.05315777
• Heavy Atom Count: 15
• Complexity: 431

Purity/Quality:

97% ^*data from raw suppliers

2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C(C(=O)N2)C(=O)O)C(=O)C1