Phenol, 2-methoxy-4-(2-nitroethenyl)-, propanoate (ester)

Base Information

• Chemical Name: Phenol, 2-methoxy-4-(2-nitroethenyl)-, propanoate (ester)
• CAS No.: 77913-02-1
• Molecular Formula: C12H13 N O5
• Molecular Weight: 0
• ChEMBL ID: CHEMBL4763795
• Mol file: 77913-02-1.mol

Synonyms:4-PMONSTY;4-propionyl-3-methoxy-omega-nitrostyrene

Chemical Property of Phenol, 2-methoxy-4-(2-nitroethenyl)-, propanoate (ester)

Chemical Property:

• Vapor Pressure: 1.84E-05mmHg at 25°C
• Boiling Point: 363.1°C at 760 mmHg
• Flash Point: 153.6°C
• PSA: 72.12000
• Density: 1.226g/cm³
• LogP: 3.05850
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 251.07937252
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1=C(C=C(C=C1)C=C[N+](=O)[O-])OC
• Isomeric SMILES: CCC(=O)OC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])OC