3-Carboxymethylsulfinyl-7-fluoro-1-methyl-4-quinolone

Base Information

• Chemical Name: 3-Carboxymethylsulfinyl-7-fluoro-1-methyl-4-quinolone
• CAS No.: 591781-23-6
• Molecular Formula: C12H10FNO4S
• DSSTox Substance ID: DTXSID90435882

Synonyms:591781-23-6;3-Carboxymethylsulfinyl-7-fluoro-1-methyl-4-quinolone;2-((7-Fluoro-1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)sulfinyl)acetic acid;SCHEMBL5868298;DTXSID90435882;ZZPPBOZMYYMVQI-UHFFFAOYSA-N

Chemical Property of 3-Carboxymethylsulfinyl-7-fluoro-1-methyl-4-quinolone

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 283.03145714
• Heavy Atom Count: 19
• Complexity: 465

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)CC(=O)O

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