(4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one

Base Information

• Chemical Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
• CAS No.: 85551-06-0
• Deprecated CAS: 103064-20-6,110267-50-0
• Molecular Formula: C22H23FO3
• Molecular Weight: 354.4146
• DSSTox Substance ID: DTXSID301009446
• Nikkaji Number: J459.610B
• Wikidata: Q76386726
• ChEMBL ID: CHEMBL440891
• Mol file: 85551-06-0.mol

Synonyms:L 645164;L-645164

Chemical Property of (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one

Chemical Property:

• Boiling Point: 530.2°Cat760mmHg
• Flash Point: 274.5°C
• Density: 1.233g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 354.16312275
• Heavy Atom Count: 26
• Complexity: 520

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Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)C=CC3CC(CC(=O)O3)O)C
• Isomeric SMILES: CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)/C=C/[C@@H]3C[C@H](CC(=O)O3)O)C

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