1H-Indole-1-carboxylic acid, 2-(cyanomethyl)-, ethyl ester

Base Information

• Chemical Name: 1H-Indole-1-carboxylic acid, 2-(cyanomethyl)-, ethyl ester
• CAS No.: 52618-53-8
• Molecular Formula: C13H12N2O2
• Molecular Weight: 228.25
• DSSTox Substance ID: DTXSID60487499
• Wikidata: Q82329543
• Mol file: 52618-53-8.mol

Synonyms:52618-53-8;1H-Indole-1-carboxylic acid, 2-(cyanomethyl)-, ethyl ester;DTXSID60487499;ethyl 2-(cyanomethyl)-1H-indole-1-carboxylate;2-(cyano-methyl)-1H-indole-1-carboxylic acid ethyl ester

Chemical Property of 1H-Indole-1-carboxylic acid, 2-(cyanomethyl)-, ethyl ester

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.089877630
• Heavy Atom Count: 17
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1C2=CC=CC=C2C=C1CC#N