Methyl 5-methyl-2-azabicyclo[3.2.0]hepta-3,6-diene-2-carboxylate

Base Information

• Chemical Name: Methyl 5-methyl-2-azabicyclo[3.2.0]hepta-3,6-diene-2-carboxylate
• CAS No.: 56666-99-0
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.19
• DSSTox Substance ID: DTXSID20701648
• Nikkaji Number: J113.761A
• Mol file: 56666-99-0.mol

Synonyms:56666-99-0;DTXSID20701648;methyl 5-methyl-2-azabicyclo[3.2.0]hepta-3,6-diene-2-carboxylate;2-Azabicyclo[3.2.0]hepta-3,6-diene-2-carboxylic acid, 5-methyl-, methyl ester;5-Methyl-2-azabicyclo[3.2.0]hepta-3,6-diene-2-carboxylic acid methyl ester

Chemical Property of Methyl 5-methyl-2-azabicyclo[3.2.0]hepta-3,6-diene-2-carboxylate

Chemical Property:

• Boiling Point: 243.7±40.0 °C(Predicted)
• PKA: -0.58±0.40(Predicted)
• PSA: 29.54000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 1.46470
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C=CC1N(C=C2)C(=O)OC