4-Methyl-3-pyrrolidin-1-yl-benzoic acid

Base Information

• Chemical Name: 4-Methyl-3-pyrrolidin-1-yl-benzoic acid
• CAS No.: 107946-74-7
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.25300
• DSSTox Substance ID: DTXSID20555527
• Wikidata: Q82436898
• Mol file: 107946-74-7.mol

Synonyms:4-Methyl-3-pyrrolidin-1-yl-benzoic acid;107946-74-7;4-methyl-3-pyrrolidin-1-ylbenzoic acid;Benzoic acid, 4-methyl-3-(1-pyrrolidinyl)-;4-methyl-3-(pyrrolidin-1-yl)benzoic acid;4-Methyl-3-(1-pyrrolidinyl)benzoic acid;SCHEMBL23792954;DTXSID20555527;AKOS000100743;4-methyl-3-(pyrrolidin-1-yl)benzoicacid;CS-0117170

Chemical Property of 4-Methyl-3-pyrrolidin-1-yl-benzoic acid

Chemical Property:

• PSA: 40.54000
• LogP: 2.35840
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

98%min ^*data from raw suppliers

4-Methyl-3-pyrrolidin-1-yl-benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)O)N2CCCC2