1-Benzoylazetidine-3-carboxylic acid

Base Information

• Chemical Name: 1-Benzoylazetidine-3-carboxylic acid
• CAS No.: 97639-63-9
• Molecular Formula: C11H11 N O3
• Molecular Weight: 205.21
• DSSTox Substance ID: DTXSID50538626
• Wikidata: Q72440207
• Mol file: 97639-63-9.mol

Synonyms:1-benzoylazetidine-3-carboxylic acid;97639-63-9;1-BENZOYL-AZETIDINE-3-CARBOXYLIC ACID;SCHEMBL16714027;DTXSID50538626;1-benzoylazetidine-3-carboxylicacid;AKOS013573613;SB52131;F1908-1161

Chemical Property of 1-Benzoylazetidine-3-carboxylic acid

Chemical Property:

• Boiling Point: 420.0±38.0 °C(Predicted)
• PKA: 3.94±0.20(Predicted)
• PSA: 57.61000
• Density: 1.356
• LogP: 0.78110
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

1-Benzoyl-azetidine-3-carboxylicacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1C(=O)C2=CC=CC=C2)C(=O)O

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