Acetic acid 2-nitro-3-[3-methoxyphenyl]-2-propenyl ester

Base Information

• Chemical Name: Acetic acid 2-nitro-3-[3-methoxyphenyl]-2-propenyl ester
• CAS No.: 114430-14-7
• Molecular Formula: C12H13 N O5
• Molecular Weight: 251.2353
• Nikkaji Number: J385.130C
• Mol file: 114430-14-7.mol

Synonyms:2-Propen-1-ol, 3-(3-methoxyphenyl)-2-nitro-, acetate (ester);114430-14-7;Acetic acid 2-nitro-3-[3-methoxyphenyl]-2-propenyl ester

Chemical Property of Acetic acid 2-nitro-3-[3-methoxyphenyl]-2-propenyl ester

Chemical Property:

• Vapor Pressure: 2.65E-07mmHg at 25°C
• Boiling Point: 421.2°C at 760 mmHg
• Flash Point: 190.7°C
• Density: 1.234g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 251.07937252
• Heavy Atom Count: 18
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=CC1=CC(=CC=C1)OC)[N+](=O)[O-]
• Isomeric SMILES: CC(=O)OC/C(=C/C1=CC(=CC=C1)OC)/[N+](=O)[O-]