Tert-butyl (2E)-3-nitroprop-2-enoate

Base Information

• Chemical Name: Tert-butyl (2E)-3-nitroprop-2-enoate
• CAS No.: 537005-95-1
• Molecular Formula: C7H11NO4
• Molecular Weight: 173.169
• European Community (EC) Number: 896-663-6
• Nikkaji Number: J1.865.421K,J2.686.385F
• Mol file: 537005-95-1.mol

Synonyms:SCHEMBL1448337;TERT-BUTYL (2E)-3-NITROPROP-2-ENOATE;EN300-28333058

Chemical Property of Tert-butyl (2E)-3-nitroprop-2-enoate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 173.06880783
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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