1H-Indole-3-acetic acid, 1-(methoxycarbonyl)-, methyl ester

Base Information

• Chemical Name: 1H-Indole-3-acetic acid, 1-(methoxycarbonyl)-, methyl ester
• CAS No.: 174319-54-1
• Molecular Formula: C13H13NO4
• Molecular Weight: 247.251
• DSSTox Substance ID: DTXSID70441481
• Nikkaji Number: J2.299.039J
• Wikidata: Q82258259
• Mol file: 174319-54-1.mol

Synonyms:174319-54-1;1H-Indole-3-acetic acid, 1-(methoxycarbonyl)-, methyl ester;SCHEMBL15747688;DTXSID70441481;ATOYWPVEKTUJHE-UHFFFAOYSA-N;methyl N-methoxycarbonylindole-3-acetate;D87252;1-methoxycarbonyl-3-indoleacetic acid methyl ester;3-(2-Methoxy-2-oxoethyl)-1H-indole-1-carboxylic acid methyl ester;METHYL 3-(2-METHOXY-2-OXOETHYL)-1H-INDOLE-1-CARBOXYLATE

Chemical Property of 1H-Indole-3-acetic acid, 1-(methoxycarbonyl)-, methyl ester

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 247.08445790
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CC1=CN(C2=CC=CC=C21)C(=O)OC