(2S,4S)-6-Fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxylic acid

Base Information

• Chemical Name: (2S,4S)-6-Fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxylic acid
• CAS No.: 136087-84-8
• Molecular Formula: C₁₂H₉FN₂O₅
• Molecular Weight: 280.212
• DSSTox Substance ID: DTXSID70431645
• Nikkaji Number: J572.775H
• Mol file: 136087-84-8.mol

Synonyms:136087-84-8;(2S,4S)-6-Fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxylic acid;SCHEMBL8311471;DTXSID70431645;XEEMHUAVPICJLP-UFBFGSQYSA-N;(2S,4S)-6-Fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxylicacid;A911815;(2S,4S)-6-fluoro-2',5'-dioxospiro[chromane-4,4'-imidazolidine]-2-carboxylic acid

Chemical Property of (2S,4S)-6-Fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxylic acid

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 280.04954955
• Heavy Atom Count: 20
• Complexity: 485

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1C(OC2=C(C13C(=O)NC(=O)N3)C=C(C=C2)F)C(=O)O
• Isomeric SMILES: C1[C@H](OC2=C([C@]13C(=O)NC(=O)N3)C=C(C=C2)F)C(=O)O

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