4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester

Base Information

• Chemical Name: 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester
• CAS No.: 22996-58-3
• Molecular Formula: C12H12 N2 O6
• Molecular Weight: 280.2335
• DSSTox Substance ID: DTXSID60177540
• Wikidata: Q83047869
• Mol file: 22996-58-3.mol

Synonyms:5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid propyl ester;4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(5-NITRO-2-FURYL)-, PROPYL ESTER;22996-58-3;DTXSID60177540;LS-86643

Chemical Property of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester

Chemical Property:

• Vapor Pressure: 1.49E-07mmHg at 25°C
• Boiling Point: 428.6°C at 760 mmHg
• Flash Point: 213°C
• Density: 1.318g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 280.06953611
• Heavy Atom Count: 20
• Complexity: 371

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=C(ON=C1C2=CC=C(O2)[N+](=O)[O-])C