3-(2-formyl-1H-indol-1-yl)propanoic acid


Chemical Name: 3-(2-formyl-1H-indol-1-yl)propanoic acid
CAS Number: 1438805-05-0
Product Number: AG001IJA(AGN-PC-0WAKNY)
Synonyms:
MDL No:
Molecular Formula: C12H11NO3
Molecular Weight: 217.2206

Identification/Properties


Computed Properties
Molecular Weight:
217.224g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
217.074g/mol
Monoisotopic Mass:
217.074g/mol
Topological Polar Surface Area:
59.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
279
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



3-(2-Formyl-1H-indol-1-yl)propanoic acid serves as a versatile building block in chemical synthesis due to its unique structural features and reactivity. This compound is commonly utilized in the pharmaceutical industry as a key intermediate in the synthesis of various bioactive molecules and pharmaceutical drugs. Its aldehyde functional group can participate in a range of important organic reactions, such as condensation reactions, nucleophilic additions, and cross-coupling reactions, enabling the efficient construction of complex molecular structures. Additionally, the indole moiety in the molecule imparts specific biological activities to the final products, making it a valuable component in drug discovery and development. Furthermore, the carboxylic acid group in the molecule provides further synthetic flexibility, allowing for the modification and derivatization of the compound for specific applications.