ethyl 3-formyl-6-methoxy-1H-indole-2-carboxylate

Base Information

• Chemical Name: ethyl 3-formyl-6-methoxy-1H-indole-2-carboxylate
• CAS No.: 171091-84-2
• Molecular Formula: C13H13NO4
• Molecular Weight: 247.24700
• DSSTox Substance ID: DTXSID60601350
• Wikidata: Q82497953
• Mol file: 171091-84-2.mol

Synonyms:171091-84-2;ethyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;ETHYL 3-FORMYL-6-METHOXYINDOLE-2-CARBOXYLATE;SCHEMBL9253578;DTXSID60601350;1h-indole-2-carboxylic acid,3-formyl-6-methoxy-,ethyl ester;DA-00005

Chemical Property of ethyl 3-formyl-6-methoxy-1H-indole-2-carboxylate

Chemical Property:

• Boiling Point: 460.8±45.0 °C(Predicted)
• PKA: 13.74±0.30(Predicted)
• PSA: 68.39000
• Density: 1.288±0.06 g/cm3(Predicted)
• LogP: 2.16570
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 247.08445790
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

98%min ^*data from raw suppliers

1H-INDOLE-2-CARBOXYLICACID,3-FORMYL-6-METHOXY-,ETHYLESTER 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)C=O

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