3-[(2-Methyl-3-furoyl)amino]benzoic acid

Base Information

• Chemical Name: 3-[(2-Methyl-3-furoyl)amino]benzoic acid
• CAS No.: 298686-55-2
• Molecular Formula: C13H11NO4
• Molecular Weight: 245.23
• DSSTox Substance ID: DTXSID70354663
• Wikidata: Q82132944
• ChEMBL ID: CHEMBL1569304
• Mol file: 298686-55-2.mol

Synonyms:3-[(2-methyl-3-furoyl)amino]benzoic acid;298686-55-2;3-[(2-methylfuran-3-carbonyl)amino]benzoic acid;3-(2-Methylfuran-3-carboxamido)benzoic acid;Cambridge id 7039825;Oprea1_654002;MLS000123060;3-[(2-Methyl-furan-3-carbonyl)-amino]-benzoic acid;CHEMBL1569304;DTXSID70354663;HMS2457B24;MFCD01926027;AKOS000147332;BS-37574;SMR000123714;3-(2-Methylfuran-3-carboxamido)benzoicacid;SR-01000527203;SR-01000527203-1

Chemical Property of 3-[(2-Methyl-3-furoyl)amino]benzoic acid

Chemical Property:

• Vapor Pressure: 1.39E-05mmHg at 25°C
• Boiling Point: 352.8°C at 760 mmHg
• PKA: 4.04±0.10(Predicted)
• Flash Point: 167.1°C
• PSA: 79.54000
• Density: 1.363g/cm³
• LogP: 2.61150
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 245.06880783
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

98% ^*data from raw suppliers

3-[(2-methyl-3-furoyl)amino]benzoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CO1)C(=O)NC2=CC=CC(=C2)C(=O)O