2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, (3-nitrophenyl)methyl ester

Base Information

• Chemical Name: 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, (3-nitrophenyl)methyl ester
• CAS No.: 3734-58-5
• Molecular Formula: C13H16NO8P
• Molecular Weight: 345.2418
• Nikkaji Number: J63.321F
• Wikidata: Q76325225
• Mol file: 3734-58-5.mol

Synonyms:Shell SD-5539;SD 5539;3734-58-5;ENT 25,578;SD-5539;2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, (3-nitrophenyl)methyl ester;CROTONIC ACID, 3-HYDROXY-, m-NITROBENZYL ESTER, DIMETHYL PHOSPHATE (ESTER);C13H16NO8P;C13-H16-N-O8-P;LS-55594;3-(Dimethoxyphosphinyloxy)-2-butenoic acid 3-nitrobenzyl ester;2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, (3-nitrophenyl)methyl ester (9CI)

Chemical Property of 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, (3-nitrophenyl)methyl ester

Chemical Property:

• Vapor Pressure: 8.97E-08mmHg at 25°C
• Boiling Point: 435.1°Cat760mmHg
• Flash Point: 217°C
• Density: 1.344g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 345.06135347
• Heavy Atom Count: 23
• Complexity: 493

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CC(=O)OCC1=CC(=CC=C1)[N+](=O)[O-])OP(=O)(OC)OC
• Isomeric SMILES: C/C(=C/C(=O)OCC1=CC(=CC=C1)[N+](=O)[O-])/OP(=O)(OC)OC