1H-Indole-1-propanoic acid, methyl ester

Base Information

• Chemical Name: 1H-Indole-1-propanoic acid, methyl ester
• CAS No.: 76916-49-9
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• European Community (EC) Number: 653-681-7
• DSSTox Substance ID: DTXSID40408829
• Nikkaji Number: J1.350.272B
• Wikidata: Q82214435

Synonyms:76916-49-9;Methyl 3-(1H-indol-1-yl)propanoate;1H-Indole-1-propanoic acid, methyl ester;Methyl 3-indol-1-ylpropanoate;SCHEMBL2037341;DTXSID40408829;methyl 3-(1h-indol-1-yl)propionate;AKOS009101074;3-Indol-1-yl-propionic acid methyl ester;3-Indol-1-yl-propionic acid, methyl ester;FT-0709602;A934712

Chemical Property of 1H-Indole-1-propanoic acid, methyl ester

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCN1C=CC2=CC=CC=C21

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