Benzyl 2-[(4-methylbenzene-1-sulfonyl)oxy]propanoate

Base Information

• Chemical Name: Benzyl 2-[(4-methylbenzene-1-sulfonyl)oxy]propanoate
• CAS No.: 117589-36-3
• Molecular Formula: C17H18 O5 S
• Molecular Weight: 334.393
• DSSTox Substance ID: DTXSID60576019
• Mol file: 117589-36-3.mol

Synonyms:117589-36-3;Benzyl 2-[(4-methylbenzene-1-sulfonyl)oxy]propanoate;benzyl 2-(4-methylphenyl)sulfonyloxypropanoate;SCHEMBL605142;DTXSID60576019;VTIDIAIZOPXIFZ-UHFFFAOYSA-N

Chemical Property of Benzyl 2-[(4-methylbenzene-1-sulfonyl)oxy]propanoate

Chemical Property:

• PSA: 78.05000
• LogP: 3.91300
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 334.08749484
• Heavy Atom Count: 23
• Complexity: 468

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)OCC2=CC=CC=C2

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