ethyl 1,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Base Information

• Chemical Name: ethyl 1,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
• CAS No.: 14006-82-7
• Molecular Formula: C₁₃H₁₇NO₃
• Molecular Weight: 235.283
• NSC Number: 177996
• DSSTox Substance ID: DTXSID20306637
• Wikidata: Q82053829

Synonyms:14006-82-7;ethyl 1,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate;ethyl 1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate;1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-1,3-dimethyl-4-oxo-, ethyl ester;NSC177996;DTXSID20306637;BBL000787;STK249665;AKOS001687392;NSC-177996;VS-00732;CS-0361346;SR-01000512797;SR-01000512797-1

Chemical Property of ethyl 1,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.06E-06mmHg at 25°C
• Boiling Point: 403°Cat760mmHg
• Flash Point: 197.5°C
• Density: 1.21g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(N1C)CCCC2=O)C

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