4-(3-Methylthiophen-2-YL)benzoic acid

Base Information

• Chemical Name: 4-(3-Methylthiophen-2-YL)benzoic acid
• CAS No.: 76099-89-3
• Molecular Formula: C12H10 O2 S
• Molecular Weight: 218.27
• DSSTox Substance ID: DTXSID80699153
• Wikidata: Q82629930
• Mol file: 76099-89-3.mol

Synonyms:4-(3-METHYLTHIOPHEN-2-YL)BENZOIC ACID;76099-89-3;Benzoic acid,4-(3-methyl-2-thienyl)-;DTXSID80699153;AKOS018557303

Chemical Property of 4-(3-Methylthiophen-2-YL)benzoic acid

Chemical Property:

• PSA: 65.54000
• LogP: 3.42170
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.04015073
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=C1)C2=CC=C(C=C2)C(=O)O