ethyl 6-methyl-1H-indole-3-carboxylate

Base Information

• Chemical Name: ethyl 6-methyl-1H-indole-3-carboxylate
• CAS No.: 100821-48-5
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.24
• DSSTox Substance ID: DTXSID00547405
• Wikidata: Q72491960
• Mol file: 100821-48-5.mol

Synonyms:ethyl 6-methyl-1H-indole-3-carboxylate;100821-48-5;Ethyl 6-Methylindole-3-carboxylate;1H-Indole-3-carboxylic acid, 6-methyl-, ethyl ester;DTXSID00547405;AC2671;MFCD06205235;AKOS015842494;SY058856;A800275

Chemical Property of ethyl 6-methyl-1H-indole-3-carboxylate

Chemical Property:

• Vapor Pressure: 4.64E-05mmHg at 25°C
• Refractive Index: 1.609
• Boiling Point: 349.6 °C at 760 mmHg
• Flash Point: 165.2 °C
• PSA: 42.09000
• Density: 1.177 g/cm³
• LogP: 2.65300
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

ETHYL 6-METHYL-1H-INDOLE-3-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CNC2=C1C=CC(=C2)C