1H-Indole-3-carboxylic acid, 1,1-dimethylethyl ester

Base Information

• Chemical Name: 1H-Indole-3-carboxylic acid, 1,1-dimethylethyl ester
• CAS No.: 61698-94-0
• Molecular Formula: C13H15NO2
• Molecular Weight: 217.268
• ChEMBL ID: CHEMBL4874988
• DSSTox Substance ID: DTXSID90487088
• Nikkaji Number: J1.171.569I
• Wikidata: Q72503439

Synonyms:61698-94-0;TERT-BUTYL 1H-INDOLE-3-CARBOXYLATE;1H-Indole-3-carboxylic acid, 1,1-dimethylethyl ester;t-butyl 3-indolecarboxylate;tert-Butylindole-3-carboxylate;SCHEMBL6684094;CHEMBL4874988;DTXSID90487088;OYMQDOGRYFONRJ-UHFFFAOYSA-N;AKOS017558298;TERT-BUTYL1H-INDOLE-3-CARBOXYLATE

Chemical Property of 1H-Indole-3-carboxylic acid, 1,1-dimethylethyl ester

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=CNC2=CC=CC=C21

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