tert-Butyl 3-(benzenesulfinyl)-4-oxopent-2-enoate

Base Information

• Chemical Name: tert-Butyl 3-(benzenesulfinyl)-4-oxopent-2-enoate
• CAS No.: 115361-62-1
• Molecular Formula: C₁₅H₁₈O₄S
• Molecular Weight: 294.372
• DSSTox Substance ID: DTXSID70707115
• Mol file: 115361-62-1.mol

Synonyms:115361-62-1;tert-Butyl 3-(benzenesulfinyl)-4-oxopent-2-enoate;SCHEMBL9602563;DTXSID70707115

Chemical Property of tert-Butyl 3-(benzenesulfinyl)-4-oxopent-2-enoate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 294.09258022
• Heavy Atom Count: 20
• Complexity: 426

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(=CC(=O)OC(C)(C)C)S(=O)C1=CC=CC=C1

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