(1S,5S,6S)-6-Fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid

Base Information

• Chemical Name: (1S,5S,6S)-6-Fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid
• CAS No.: 781663-21-6
• Molecular Formula: C7H5 F O3
• Molecular Weight: 156.1112032
• DSSTox Substance ID: DTXSID70464296
• Nikkaji Number: J2.108.412C
• Wikidata: Q82289575
• Mol file: 781663-21-6.mol

Synonyms:781663-21-6;(1S,5S,6S)-6-Fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid;DTXSID70464296;Bicyclo[3.1.0]hex-2-ene-6-carboxylic acid,6-fluoro-4-oxo-,(1S,5S,6S)-(9ci)

Chemical Property of (1S,5S,6S)-6-Fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid

Chemical Property:

• PSA: 54.37000
• LogP: 0.16420
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 156.02227218
• Heavy Atom Count: 11
• Complexity: 283

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)C2C1C2(C(=O)O)F
• Isomeric SMILES: C1=CC(=O)[C@@H]2[C@H]1[C@]2(C(=O)O)F