(S)-6-Fluoro-4-oxochroman-2-carboxylic acid

Base Information

• Chemical Name: (S)-6-Fluoro-4-oxochroman-2-carboxylic acid
• CAS No.: 118803-69-3
• Molecular Formula: C₁₀H₇FO₄
• Molecular Weight: 210.162
• DSSTox Substance ID: DTXSID20436009
• Wikidata: Q82251180

Synonyms:118803-69-3;(S)-6-Fluoro-4-oxochroman-2-carboxylic acid;(S)-6-Fluoro-3,4-dihydro-4-oxo-2H-1-benzopyran-2-carboxylic acid;(S)-6-Fluoro-4-oxochroman-2-carboxylicacid;SCHEMBL9634706;DTXSID20436009;AKOS016012234;(S)-6-fluoro-4-oxochromane-2-carboxylic acid

Chemical Property of (S)-6-Fluoro-4-oxochroman-2-carboxylic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 210.03283686
• Heavy Atom Count: 15
• Complexity: 291

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=C(C1=O)C=C(C=C2)F)C(=O)O
• Isomeric SMILES: C1[C@H](OC2=C(C1=O)C=C(C=C2)F)C(=O)O

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