4-(2-Fluoro-phenyl)-tetrahydro-pyran-4-carboxylic acid

Base Information

• Chemical Name: 4-(2-Fluoro-phenyl)-tetrahydro-pyran-4-carboxylic acid
• CAS No.: 889939-77-9
• Molecular Formula: C12H13FO3
• Molecular Weight: 224.23
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70589852
• Wikidata: Q82483472
• Mol file: 889939-77-9.mol

Synonyms:889939-77-9;4-(2-Fluoro-phenyl)-tetrahydro-pyran-4-carboxylic acid;4-(2-Fluorophenyl)tetrahydro-2H-pyran-4-carboxylic acid;4-(2-fluorophenyl)oxane-4-carboxylic acid;4-(2-fluorophenyl)tetrahydropyran-4-carboxylic acid;SCHEMBL1627778;4-(2-fluorophenyl)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID;DTXSID70589852;NRKNYZPHABISIQ-UHFFFAOYSA-N;BBL025934;STL371919;AKOS000111830;VS-08158;DB-228807;G68021;EN300-1859949;4-(2-Fluoro-phenyl)tetrahydro-pyran-4-carboxylic acid;4-(2-Fluorophenyl)tetrahydro-2H-pyran-4-carboxylicacid;4-(2-Fluorophenyl)-tetrahydro-2H-pyran-4-carboxylic acid

Chemical Property of 4-(2-Fluoro-phenyl)-tetrahydro-pyran-4-carboxylic acid

Chemical Property:

• Boiling Point: 372.3±42.0 °C(Predicted)
• PKA: 3.70±0.20(Predicted)
• PSA: 46.53000
• Density: 1.269±0.06 g/cm3(Predicted)
• LogP: 1.95850
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.08487243
• Heavy Atom Count: 16
• Complexity: 261

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Fluoro-phenyl)-tetrahydro-pyran-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCC1(C2=CC=CC=C2F)C(=O)O