2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-benzoic acid

Base Information

• Chemical Name: 2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-benzoic acid
• CAS No.: 357420-38-3
• Molecular Formula: C14H12NO4-
• Molecular Weight: 259.26
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID20356415
• Wikidata: Q82135733
• ChEMBL ID: CHEMBL1894989
• Mol file: 357420-38-3.mol

Synonyms:357420-38-3;2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-benzoic acid;2-(2,5-Dimethylfuran-3-carboxamido)benzoic acid;2-[(2,5-dimethylfuran-3-carbonyl)amino]benzoic acid;CBMicro_034356;Cambridge id 5818378;Oprea1_843386;Oprea1_851295;MLS001221657;CHEMBL1894989;DTXSID20356415;HMS1673K17;HMS2904A04;STK668509;AKOS000147055;BS-49316;SMR000611203;BIM-0034507.P001;FT-0644505;F73667;2-(2,5-Dimethylfuran-3-carboxamido)benzoicacid;A822966;BRD-K19657050-001-07-5;2-[(2,5-Dimethyl-furan-3-carbonyl)amino]-benzoic acid;2-{[(2,5-dimethylfuran-3-yl)carbonyl]amino}benzoic acid

Chemical Property of 2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-benzoic acid

Chemical Property:

• Vapor Pressure: 5.72E-06mmHg at 25°C
• Boiling Point: 365°C at 760 mmHg
• PKA: 3.41±0.36(Predicted)
• Flash Point: 174.6°C
• PSA: 79.54000
• Density: 1.321±0.06 g/cm3(Predicted)
• LogP: 2.91990
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 259.08445790
• Heavy Atom Count: 19
• Complexity: 357

Purity/Quality:

98%min ^*data from raw suppliers

2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2C(=O)O