4-(2-Chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-furo[3,4-b]pyridine-3-carboxylic acid

Base Information

• Chemical Name: 4-(2-Chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-furo[3,4-b]pyridine-3-carboxylic acid
• CAS No.: 113994-39-1
• Molecular Formula: C15H10ClNO4
• Molecular Weight: 303.70
• DSSTox Substance ID: DTXSID50558283
• Wikidata: Q72456747
• Mol file: 113994-39-1.mol

Synonyms:113994-39-1;4-(2-chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-furo[3,4-b]pyridine-3-carboxylic acid;4-(2-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid;Furo[3,4-b]pyridine-3-carboxylicacid, 4-(2-chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-;DTXSID50558283;4-(2-Chlorophenyl)-2-methyl-5-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid

Chemical Property of 4-(2-Chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-furo[3,4-b]pyridine-3-carboxylic acid

Chemical Property:

• Melting Point: 244-247 °C
• Refractive Index: 1.649
• Boiling Point: 512.6 °C at 760 mmHg
• PKA: 2.28±0.20(Predicted)
• Flash Point: 263.8 °C
• PSA: 76.49000
• Density: 1.479 g/cm³
• LogP: 3.07900
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 303.0298355
• Heavy Atom Count: 21
• Complexity: 443

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2-Chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-furo[3,4-b]pyridine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C2C(=N1)COC2=O)C3=CC=CC=C3Cl)C(=O)O