4-Pentenoic acid, 3-oxo-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: 4-Pentenoic acid, 3-oxo-, 1,1-dimethylethyl ester
• CAS No.: 88023-67-0
• Molecular Formula: C9H14O3
• Molecular Weight: 170.208
• DSSTox Substance ID: DTXSID90450797
• Nikkaji Number: J1.411.248K
• Mol file: 88023-67-0.mol

Synonyms:Tert-butyl 3-oxopent-4-enoate;88023-67-0;4-Pentenoic acid, 3-oxo-, 1,1-dimethylethyl ester;tert-butyl 3-oxo-4-pentenoate;SCHEMBL11592631;DTXSID90450797;3-Oxo-4-pentenoic acid tert-butyl ester;3-oxo-pent-4-enoic acid tert-butyl ester;EN300-7914400

Chemical Property of 4-Pentenoic acid, 3-oxo-, 1,1-dimethylethyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 1.47330
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CC(=O)C=C